9-fluoro-11β,17,21-trihydroxy-16β-methylpregna-1,4-diene-3,20-dione 17-propionate

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9-fluoro-11β,17,21-trihydroxy-16β-methylpregna-1,4-diene-3,20-dione 17-propionate

UUID cb2bd8f4-2a86-403c-8232-213a360dcec8

Flow Object ID fo-6c188c85c3e4d658

Source EF 3.1

Context Environmental → Air → Ground level → Rural (<1000 people/square mile)

CAS Numbers 5534-13-4

EC Numbers 226-887-6

prefLabel

Language	Value	Provenance
`en`	`9-fluoro-11β,17,21-trihydroxy-16β-methylpregna-1,4-diene-3,20-dione 17-propionate`

altLabel ⓘ

Language	Value	Provenance
`en`	`(11β,16β)-9-Fluoro-11,21-dihydroxy-16-methyl-17-(1-oxopropoxy)pregna-1,4-diene-3,20-dione`
`en`	`Betamethasone 17-propionate`
`en`	`Betamethasone 17α-propionate`
`en`	`Pregna-1,4-diene-3,20-dione, 9-fluoro-11,21-dihydroxy-16-methyl-17-(1-oxopropoxy)-, (11β,16β)-`
`en`	`Pregna-1,4-diene-3,20-dione, 9-fluoro-11β,17,21-trihydroxy-16β-methyl-, 17-propionate`

References

Shared Properties

Predicate	Value
InChIKey	`DKBBOWMEYUBDGN-JLHYYAGUSA-N, FPVRUILUEYSIMD-KHDFANQKSA-N, ITYMTTQVNYAJAA-BHPVMOEKSA-N, ITYMTTQVNYAJAA-BPARTCAISA-N, ITYMTTQVNYAJAA-FDHHHVHPSA-N, ITYMTTQVNYAJAA-KEFXZHIGSA-N, ITYMTTQVNYAJAA-OETUORLHSA-N, ITYMTTQVNYAJAA-UHFFFAOYSA-N, ITYMTTQVNYAJAA-XGQKBEPLSA-N, ZJAUMZGHSVJYQC-IRFXDLDVSA-N`
InChI	InChI=1S/C18H36O2/c1-2-3-4-12-15-18(20)16-13-10-8-6-5-7-9-11-14-17-19/h10,13,18-20H,2-9,11-12,14-17H2,1H3/b13-10+, InChI=1S/C24H31FO6/c1-13-9-18-17-6-5-15-10-16(28)7-8-21(15,3)23(17,25)19(29)11-22(18,4)24(13,20(30)12-26)31-14(2)27/h7-8,10,13,17-19,26,29H,5-6,9,11-12H2,1-4H3/t13-,17?,18?,19+,21+,22+,23+,24+/m1/s1/i5D,10D,12D2/t5?,13-,17?,18?,19+,21+,22+,23+,24+, InChI=1S/C25H33FO6/c1-5-21(31)32-25(20(30)13-27)14(2)10-18-17-7-6-15-11-16(28)8-9-22(15,3)24(17,26)19(29)12-23(18,25)4/h8-9,11,14,17-19,27,29H,5-7,10,12-13H2,1-4H3, InChI=1S/C25H33FO6/c1-5-21(31)32-25(20(30)13-27)14(2)10-18-17-7-6-15-11-16(28)8-9-22(15,3)24(17,26)19(29)12-23(18,25)4/h8-9,11,14,17-19,27,29H,5-7,10,12-13H2,1-4H3/t14-,17+,18-,19-,22-,23-,24+,25-/m0/s1, InChI=1S/C25H33FO6/c1-5-21(31)32-25(20(30)13-27)14(2)10-18-17-7-6-15-11-16(28)8-9-22(15,3)24(17,26)19(29)12-23(18,25)4/h8-9,11,14,17-19,27,29H,5-7,10,12-13H2,1-4H3/t14-,17-,18-,19-,22-,23-,24-,25-/m0/s1, InChI=1S/C25H33FO6/c1-5-21(31)32-25(20(30)13-27)14(2)10-18-17-7-6-15-11-16(28)8-9-22(15,3)24(17,26)19(29)12-23(18,25)4/h8-9,11,14,17-19,27,29H,5-7,10,12-13H2,1-4H3/t14-,17-,18-,19-,22-,23-,24?,25-/m0/s1, InChI=1S/C25H33FO6/c1-5-21(31)32-25(20(30)13-27)14(2)10-18-17-7-6-15-11-16(28)8-9-22(15,3)24(17,26)19(29)12-23(18,25)4/h8-9,11,14,17-19,27,29H,5-7,10,12-13H2,1-4H3/t14-,17-,18-,19-,22-,23-,24?,25-/m0/s1/i1D3,5D2, InChI=1S/C25H33FO6/c1-5-21(31)32-25(20(30)13-27)14(2)10-18-17-7-6-15-11-16(28)8-9-22(15,3)24(17,26)19(29)12-23(18,25)4/h8-9,11,14,17-19,27,29H,5-7,10,12-13H2,1-4H3/t14-,17?,18?,19-,22-,23-,24-,25-/m0/s1, InChI=1S/C25H33FO6/c1-5-21(31)32-25(20(30)13-27)14(2)10-18-17-7-6-15-11-16(28)8-9-22(15,3)24(17,26)19(29)12-23(18,25)4/h8-9,11,14,17-19,27,29H,5-7,10,12-13H2,1-4H3/t14?,17?,18?,19?,22-,23-,24-,25-/m0/s1, InChI=1S/C26H33FO8/c1-5-21(31)35-26(20(30)13-34-22(32)33)14(2)10-18-17-7-6-15-11-16(28)8-9-23(15,3)25(17,27)19(29)12-24(18,26)4/h8-9,11,14,17-19,29H,5-7,10,12-13H2,1-4H3,(H,32,33)/t14-,17?,18?,19-,23-,24-,25-,26-/m0/s1
IUPAC name	(E)-9-octadecene-1,12-diol, (E)-octadec-9-ene-1,12-diol, 2,2,3,3,3-pentadeuteriopropanoic acid [(8S,10S,11S,13S,14S,16S,17R)-9-fluoro-11-hydroxy-17-(2-hydroxy-1-oxoethyl)-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] ester, 2,2,3,3,3-pentadeuteriopropionic acid [(8S,10S,11S,13S,14S,16S,17R)-9-fluoro-17-glycoloyl-11-hydroxy-3-keto-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] ester, [(8R,9S,10S,11S,13S,14S,16S,17R)-9-fluoranyl-10,13,16-trimethyl-11-oxidanyl-17-(2-oxidanylethanoyl)-3-oxidanylidene-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] propanoate, [(8R,9S,10S,11S,13S,14S,16S,17R)-9-fluoro-11-hydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] propanoate, [(8S,10S,11S,13S,14S,16S,17R)-9-fluoranyl-10,13,16-trimethyl-11-oxidanyl-17-(2-oxidanylethanoyl)-3-oxidanylidene-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] 2,2,3,3,3-pentadeuteriopropanoate, [(8S,10S,11S,13S,14S,16S,17R)-9-fluoranyl-10,13,16-trimethyl-11-oxidanyl-17-(2-oxidanylethanoyl)-3-oxidanylidene-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] propanoate, [(8S,10S,11S,13S,14S,16S,17R)-9-fluoro-11-hydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] 2,2,3,3,3-pentadeuteriopropanoate, [(8S,10S,11S,13S,14S,16S,17R)-9-fluoro-11-hydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] propanoate, [(8S,9R,10S,11S,13S,14S,16S,17R)-9-fluoranyl-10,13,16-trimethyl-11-oxidanyl-17-(2-oxidanylethanoyl)-3-oxidanylidene-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] propanoate, [(8S,9R,10S,11S,13S,14S,16S,17R)-9-fluoro-11-hydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] propanoate, [(9R,10S,11S,13S,16R,17R)-4,6-dideuterio-17-(2,2-dideuterio-2-hydroxy-acetyl)-9-fluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] acetate, [(9R,10S,11S,13S,16R,17R)-4,6-dideuterio-17-(2,2-dideuterio-2-hydroxyacetyl)-9-fluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] acetate, [(9R,10S,11S,13S,16R,17R)-4,6-dideuterio-17-(2,2-dideuterio-2-oxidanyl-ethanoyl)-9-fluoranyl-10,13,16-trimethyl-11-oxidanyl-3-oxidanylidene-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] ethanoate, [(9R,10S,11S,13S,16S,17R)-17-(2-carboxyoxyacetyl)-9-fluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] propanoate, [(9R,10S,11S,13S,16S,17R)-17-(2-carboxyoxyethanoyl)-9-fluoranyl-10,13,16-trimethyl-11-oxidanyl-3-oxidanylidene-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] propanoate, [(9R,10S,11S,13S,16S,17R)-9-fluoranyl-10,13,16-trimethyl-11-oxidanyl-17-(2-oxidanylethanoyl)-3-oxidanylidene-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] propanoate, [(9R,10S,11S,13S,16S,17R)-9-fluoro-11-hydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] propanoate, [(9R,10S,13S,17R)-9-fluoranyl-10,13,16-trimethyl-11-oxidanyl-17-(2-oxidanylethanoyl)-3-oxidanylidene-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] propanoate, [(9R,10S,13S,17R)-9-fluoro-11-hydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] propanoate, [9-fluoranyl-10,13,16-trimethyl-11-oxidanyl-17-(2-oxidanylethanoyl)-3-oxidanylidene-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] propanoate, [9-fluoro-11-hydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] propanoate, acetic acid [(9R,10S,11S,13S,16R,17R)-4,6-dideuterio-17-(2,2-dideuterio-2-hydroxy-1-oxoethyl)-9-fluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] ester, acetic acid [(9R,10S,11S,13S,16R,17R)-4,6-dideuterio-17-(2,2-dideuterio-2-hydroxy-acetyl)-9-fluoro-11-hydroxy-3-keto-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] ester, propanoic acid [(8R,9S,10S,11S,13S,14S,16S,17R)-9-fluoro-11-hydroxy-17-(2-hydroxy-1-oxoethyl)-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] ester, propanoic acid [(8S,10S,11S,13S,14S,16S,17R)-9-fluoro-11-hydroxy-17-(2-hydroxy-1-oxoethyl)-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] ester, propanoic acid [(8S,9R,10S,11S,13S,14S,16S,17R)-9-fluoro-11-hydroxy-17-(2-hydroxy-1-oxoethyl)-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] ester, propanoic acid [(9R,10S,11S,13S,16S,17R)-17-(2-carboxyoxy-1-oxoethyl)-9-fluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] ester, propanoic acid [(9R,10S,11S,13S,16S,17R)-9-fluoro-11-hydroxy-17-(2-hydroxy-1-oxoethyl)-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] ester, propanoic acid [(9R,10S,13S,17R)-9-fluoro-11-hydroxy-17-(2-hydroxy-1-oxoethyl)-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] ester, propanoic acid [9-fluoro-11-hydroxy-17-(2-hydroxy-1-oxoethyl)-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] ester, propionic acid (9-fluoro-17-glycoloyl-11-hydroxy-3-keto-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl) ester, propionic acid [(8R,9S,10S,11S,13S,14S,16S,17R)-9-fluoro-17-glycoloyl-11-hydroxy-3-keto-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] ester, propionic acid [(8S,10S,11S,13S,14S,16S,17R)-9-fluoro-17-glycoloyl-11-hydroxy-3-keto-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] ester, propionic acid [(8S,9R,10S,11S,13S,14S,16S,17R)-9-fluoro-17-glycoloyl-11-hydroxy-3-keto-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] ester, propionic acid [(9R,10S,11S,13S,16S,17R)-17-(2-carboxyoxyacetyl)-9-fluoro-11-hydroxy-3-keto-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] ester, propionic acid [(9R,10S,11S,13S,16S,17R)-9-fluoro-17-glycoloyl-11-hydroxy-3-keto-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] ester, propionic acid [(9R,10S,13S,17R)-9-fluoro-17-glycoloyl-11-hydroxy-3-keto-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] ester
Molecular formula	`C18H36O2, C24H31FO6, C25H33FO6, C26H33FO8`
SMILES	CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)CO)OC(=O)C)C)O)F)C, CCC(=O)OC1(C(CC2C1(CC(C3(C2CCC4=CC(=O)C=CC43C)F)O)C)C)C(=O)CO, CCC(=O)OC1(C(CC2C1(CC(C3(C2CCC4=CC(=O)C=CC43C)F)O)C)C)C(=O)COC(=O)O, CCC(=O)O[C@@]1(C(CC2[C@@]1(CC([C@]3(C2CCC4=CC(=O)C=C[C@@]43C)F)O)C)C)C(=O)CO, CCC(=O)O[C@@]1([C@H](CC2[C@@]1(C[C@@H]([C@]3(C2CCC4=CC(=O)C=C[C@@]43C)F)O)C)C)C(=O)CO, CCC(=O)O[C@@]1([C@H](CC2[C@@]1(C[C@@H]([C@]3(C2CCC4=CC(=O)C=C[C@@]43C)F)O)C)C)C(=O)COC(=O)O, CCC(=O)O[C@@]1([C@H](C[C@@H]2[C@@]1(C[C@@H](C3([C@H]2CCC4=CC(=O)C=C[C@@]43C)F)O)C)C)C(=O)CO, CCC(=O)O[C@@]1([C@H](C[C@@H]2[C@@]1(C[C@@H]([C@@]3([C@@H]2CCC4=CC(=O)C=C[C@@]43C)F)O)C)C)C(=O)CO, CCC(=O)O[C@@]1([C@H](C[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2CCC4=CC(=O)C=C[C@@]43C)F)O)C)C)C(=O)CO, CCCCCCC(C/C=C/CCCCCCCCO)O, CCCCCCC(CC=CCCCCCCCCO)O, [2H]C([2H])([2H])C([2H])([2H])C(=O)O[C@@]1([C@H](C[C@@H]2[C@@]1(C[C@@H](C3([C@H]2CCC4=CC(=O)C=C[C@@]43C)F)O)C)C)C(=O)CO, [2H]C1CC2C3C[C@H]([C@@]([C@]3(C[C@@H]([C@@]2([C@@]4(C1=C(C(=O)C=C4)[2H])C)F)O)C)(C(=O)C([2H])([2H])O)OC(=O)C)C

Source List References

List	Version	Source Flow UUID	Source Flow Name
EF	3.1	`cb2bd8f4-2a86-403c-8232-213a360dcec8`	9-fluoro-11β,17,21-trihydroxy-16β-methylpregna-1,4-diene-3,20-dione 17-propionate

Concept Associations

Source List	Source Flow	Source Context	Unit	Match Type	Conversion	Provenance
EF 3.1	9-fluoro-11β,17,21-trihydroxy-16β-methylpregna-1,4-diene-3,20-dione 17-propionate	Emissions/Emissions to air/Emissions to air, unspecified (long-term)	kg	`exactMatch`	—

Consolidated Field Provenance

0 total PROV activity record(s) for this flow.

Field	Change Count	Latest Time	Transformers	Latest Comment
`altLabel`	1	`—`	consensus_match	group_key=9-fluoro-11β,17,21-trihydroxy-16β-methylpregna-1,4-diene-3,20-dione17-propionate\|\|dimension=Environmental > media=Ground > geography=Unknown; cas=5534-13-4; added Common Chemistry CAS names as altLabel: (11β,16β)-9-Fluoro-11,21-dihydroxy-16-methyl-17-(1-oxopropoxy)pregna-1,4-diene-3,20-dione, Betamethasone 17-propionate, Betamethasone 17α-propionate, Pregna-1,4-diene-3,20-dione, 9-fluoro-11,21-dihydroxy-16-methyl-17-(1-oxopropoxy)-, (11β,16β)-, Pregna-1,4-diene-3,20-dione, 9-fluoro-11β,17,21-trihydroxy-16β-methyl-, 17-propionate; object_uuid=fo-6c188c85c3e4d658
`cas_match_labels`	1	`—`	consensus_match	group_key=9-fluoro-11β,17,21-trihydroxy-16β-methylpregna-1,4-diene-3,20-dione17-propionate\|\|dimension=Environmental > media=Ground > geography=Unknown; group_sources=['ec_inventory']; cas_sources={'5534-13-4': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-6c188c85c3e4d658: {'5534-13-4': 'exactMatch'}

Context Attributes

Attribute	Value
dimension	Environmental
media	Air
strata	Ground level
population_density	Rural (<1000 people/square mile)

Consensus Changes

Field	Old Value	New Value	Comment
`altLabel`	`None`	[{'@value': '(11β,16β)-9-Fluoro-11,21-dihydroxy-16-methyl-17-(1-oxopropoxy)pregna-1,4-diene-3,20-dione', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:5534-13-4', 'https://commonchemistry.cas.org/detail?cas_rn=5534-13-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Betamethasone 17-propionate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:5534-13-4', 'https://commonchemistry.cas.org/detail?cas_rn=5534-13-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Betamethasone 17α-propionate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:5534-13-4', 'https://commonchemistry.cas.org/detail?cas_rn=5534-13-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Pregna-1,4-diene-3,20-dione, 9-fluoro-11,21-dihydroxy-16-methyl-17-(1-oxopropoxy)-, (11β,16β)-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:5534-13-4', 'https://commonchemistry.cas.org/detail?cas_rn=5534-13-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Pregna-1,4-diene-3,20-dione, 9-fluoro-11β,17,21-trihydroxy-16β-methyl-, 17-propionate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:5534-13-4', 'https://commonchemistry.cas.org/detail?cas_rn=5534-13-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}]	group_key=9-fluoro-11β,17,21-trihydroxy-16β-methylpregna-1,4-diene-3,20-dione17-propionate\|\|dimension=Environmental > media=Ground > geography=Unknown; cas=5534-13-4; added Common Chemistry CAS names as altLabel: (11β,16β)-9-Fluoro-11,21-dihydroxy-16-methyl-17-(1-oxopropoxy)pregna-1,4-diene-3,20-dione, Betamethasone 17-propionate, Betamethasone 17α-propionate, Pregna-1,4-diene-3,20-dione, 9-fluoro-11,21-dihydroxy-16-methyl-17-(1-oxopropoxy)-, (11β,16β)-, Pregna-1,4-diene-3,20-dione, 9-fluoro-11β,17,21-trihydroxy-16β-methyl-, 17-propionate; object_uuid=fo-6c188c85c3e4d658
`cas_match_labels`	`None`	`{'5534-13-4': 'exactMatch'}`	group_key=9-fluoro-11β,17,21-trihydroxy-16β-methylpregna-1,4-diene-3,20-dione17-propionate\|\|dimension=Environmental > media=Ground > geography=Unknown; group_sources=['ec_inventory']; cas_sources={'5534-13-4': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-6c188c85c3e4d658: {'5534-13-4': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

{
  "uuid": "cb2bd8f4-2a86-403c-8232-213a360dcec8",
  "name": null,
  "cas_numbers": [
    "5534-13-4"
  ],
  "ec_numbers": [
    "226-887-6"
  ],
  "context": {
    "dimension": "Environmental",
    "media": "Air",
    "strata": "Ground level",
    "population_density": "Rural (<1000 people/square mile)"
  },
  "general_comment": null,
  "synonyms": [],
  "unit": "kg",
  "lcia_methods": [],
  "source": "EF 3.1",
  "identifier": "cb2bd8f4-2a86-403c-8232-213a360dcec8",
  "input_datasets": [
    "EF 3.1"
  ],
  "source_refs": [
    {
      "list_name": "EF",
      "list_version": "3.1",
      "source_flow_uuid": "cb2bd8f4-2a86-403c-8232-213a360dcec8",
      "source_flow_name": "9-fluoro-11β,17,21-trihydroxy-16β-methylpregna-1,4-diene-3,20-dione 17-propionate",
      "source_metadata": {
        "input_file": "/home/cmutel/.local/share/consensus-flow-list/ef-31-flows.json",
        "input_dataset": "EF 3.1",
        "original_context": [
          "Emissions",
          "Emissions to air",
          "Emissions to air, unspecified (long-term)"
        ]
      }
    }
  ],
  "prefLabel": [
    {
      "@value": "9-fluoro-11β,17,21-trihydroxy-16β-methylpregna-1,4-diene-3,20-dione 17-propionate",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "bootstrap_labels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "_sources": {
    "prefLabel": "bootstrap_labels",
    "name": "bootstrap_labels",
    "synonyms": "bootstrap_labels",
    "context": "default_context_mapping",
    "context_iri": "default_context_mapping",
    "unit_iri": "unit_normalization",
    "properties": "enrich_references",
    "skos:definition": "enrich_references",
    "references": "enrich_references",
    "altLabel": "consensus_match",
    "cas_match_labels": "consensus_match"
  },
  "context_iri": "https://vocab.brightway.one/flow-contexts/envi-air-grle-ru10pesq",
  "unit_iri": "https://vocab.brightway.one/units/unit/KiloGM",
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C18H36O2",
        "C24H31FO6",
        "C25H33FO6",
        "C26H33FO8"
      ],
      "rdfs:label": "Molecular formula",
      "provenance": {
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        "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
      }
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "DKBBOWMEYUBDGN-JLHYYAGUSA-N",
        "FPVRUILUEYSIMD-KHDFANQKSA-N",
        "ITYMTTQVNYAJAA-BHPVMOEKSA-N",
        "ITYMTTQVNYAJAA-BPARTCAISA-N",
        "ITYMTTQVNYAJAA-FDHHHVHPSA-N",
        "ITYMTTQVNYAJAA-KEFXZHIGSA-N",
        "ITYMTTQVNYAJAA-OETUORLHSA-N",
        "ITYMTTQVNYAJAA-UHFFFAOYSA-N",
        "ITYMTTQVNYAJAA-XGQKBEPLSA-N",
        "ZJAUMZGHSVJYQC-IRFXDLDVSA-N"
      ],
      "rdfs:label": "InChIKey",
      "provenance": {
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        "prov:wasDerivedFrom": "pubchem.props.InChIKey"
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    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "@value": [
        "CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)CO)OC(=O)C)C)O)F)C",
        "CCC(=O)OC1(C(CC2C1(CC(C3(C2CCC4=CC(=O)C=CC43C)F)O)C)C)C(=O)CO",
        "CCC(=O)OC1(C(CC2C1(CC(C3(C2CCC4=CC(=O)C=CC43C)F)O)C)C)C(=O)COC(=O)O",
        "CCC(=O)O[C@@]1(C(CC2[C@@]1(CC([C@]3(C2CCC4=CC(=O)C=C[C@@]43C)F)O)C)C)C(=O)CO",
        "CCC(=O)O[C@@]1([C@H](CC2[C@@]1(C[C@@H]([C@]3(C2CCC4=CC(=O)C=C[C@@]43C)F)O)C)C)C(=O)CO",
        "CCC(=O)O[C@@]1([C@H](CC2[C@@]1(C[C@@H]([C@]3(C2CCC4=CC(=O)C=C[C@@]43C)F)O)C)C)C(=O)COC(=O)O",
        "CCC(=O)O[C@@]1([C@H](C[C@@H]2[C@@]1(C[C@@H](C3([C@H]2CCC4=CC(=O)C=C[C@@]43C)F)O)C)C)C(=O)CO",
        "CCC(=O)O[C@@]1([C@H](C[C@@H]2[C@@]1(C[C@@H]([C@@]3([C@@H]2CCC4=CC(=O)C=C[C@@]43C)F)O)C)C)C(=O)CO",
        "CCC(=O)O[C@@]1([C@H](C[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2CCC4=CC(=O)C=C[C@@]43C)F)O)C)C)C(=O)CO",
        "CCCCCCC(C/C=C/CCCCCCCCO)O",
        "CCCCCCC(CC=CCCCCCCCCO)O",
        "[2H]C([2H])([2H])C([2H])([2H])C(=O)O[C@@]1([C@H](C[C@@H]2[C@@]1(C[C@@H](C3([C@H]2CCC4=CC(=O)C=C[C@@]43C)F)O)C)C)C(=O)CO",
        "[2H]C1CC2C3C[C@H]([C@@]([C@]3(C[C@@H]([C@@]2([C@@]4(C1=C(C(=O)C=C4)[2H])C)F)O)C)(C(=O)C([2H])([2H])O)OC(=O)C)C"
      ],
      "rdfs:label": "SMILES",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "CID:15571104",
          "CID:92043464",
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          "CID:145706030",
          "CID:145714622",
          "CID:154731490"
        ],
        "prov:wasDerivedFrom": "pubchem.props.SMILES"
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "@value": [
        "InChI=1S/C18H36O2/c1-2-3-4-12-15-18(20)16-13-10-8-6-5-7-9-11-14-17-19/h10,13,18-20H,2-9,11-12,14-17H2,1H3/b13-10+",
        "InChI=1S/C24H31FO6/c1-13-9-18-17-6-5-15-10-16(28)7-8-21(15,3)23(17,25)19(29)11-22(18,4)24(13,20(30)12-26)31-14(2)27/h7-8,10,13,17-19,26,29H,5-6,9,11-12H2,1-4H3/t13-,17?,18?,19+,21+,22+,23+,24+/m1/s1/i5D,10D,12D2/t5?,13-,17?,18?,19+,21+,22+,23+,24+",
        "InChI=1S/C25H33FO6/c1-5-21(31)32-25(20(30)13-27)14(2)10-18-17-7-6-15-11-16(28)8-9-22(15,3)24(17,26)19(29)12-23(18,25)4/h8-9,11,14,17-19,27,29H,5-7,10,12-13H2,1-4H3",
        "InChI=1S/C25H33FO6/c1-5-21(31)32-25(20(30)13-27)14(2)10-18-17-7-6-15-11-16(28)8-9-22(15,3)24(17,26)19(29)12-23(18,25)4/h8-9,11,14,17-19,27,29H,5-7,10,12-13H2,1-4H3/t14-,17+,18-,19-,22-,23-,24+,25-/m0/s1",
        "InChI=1S/C25H33FO6/c1-5-21(31)32-25(20(30)13-27)14(2)10-18-17-7-6-15-11-16(28)8-9-22(15,3)24(17,26)19(29)12-23(18,25)4/h8-9,11,14,17-19,27,29H,5-7,10,12-13H2,1-4H3/t14-,17-,18-,19-,22-,23-,24-,25-/m0/s1",
        "InChI=1S/C25H33FO6/c1-5-21(31)32-25(20(30)13-27)14(2)10-18-17-7-6-15-11-16(28)8-9-22(15,3)24(17,26)19(29)12-23(18,25)4/h8-9,11,14,17-19,27,29H,5-7,10,12-13H2,1-4H3/t14-,17-,18-,19-,22-,23-,24?,25-/m0/s1",
        "InChI=1S/C25H33FO6/c1-5-21(31)32-25(20(30)13-27)14(2)10-18-17-7-6-15-11-16(28)8-9-22(15,3)24(17,26)19(29)12-23(18,25)4/h8-9,11,14,17-19,27,29H,5-7,10,12-13H2,1-4H3/t14-,17-,18-,19-,22-,23-,24?,25-/m0/s1/i1D3,5D2",
        "InChI=1S/C25H33FO6/c1-5-21(31)32-25(20(30)13-27)14(2)10-18-17-7-6-15-11-16(28)8-9-22(15,3)24(17,26)19(29)12-23(18,25)4/h8-9,11,14,17-19,27,29H,5-7,10,12-13H2,1-4H3/t14-,17?,18?,19-,22-,23-,24-,25-/m0/s1",
        "InChI=1S/C25H33FO6/c1-5-21(31)32-25(20(30)13-27)14(2)10-18-17-7-6-15-11-16(28)8-9-22(15,3)24(17,26)19(29)12-23(18,25)4/h8-9,11,14,17-19,27,29H,5-7,10,12-13H2,1-4H3/t14?,17?,18?,19?,22-,23-,24-,25-/m0/s1",
        "InChI=1S/C26H33FO8/c1-5-21(31)35-26(20(30)13-34-22(32)33)14(2)10-18-17-7-6-15-11-16(28)8-9-23(15,3)25(17,27)19(29)12-24(18,26)4/h8-9,11,14,17-19,29H,5-7,10,12-13H2,1-4H3,(H,32,33)/t14-,17?,18?,19-,23-,24-,25-,26-/m0/s1"
      ],
      "rdfs:label": "InChI",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:93007",
          "CID:5463514",
          "CID:15571104",
          "CID:92043464",
          "CID:119081662",
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          "CID:131698441",
          "CID:145706030",
          "CID:145714622",
          "CID:154731490"
        ],
        "prov:wasDerivedFrom": "pubchem.props.InChI"
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "@value": [
        "(E)-9-octadecene-1,12-diol",
        "(E)-octadec-9-ene-1,12-diol",
        "2,2,3,3,3-pentadeuteriopropanoic acid [(8S,10S,11S,13S,14S,16S,17R)-9-fluoro-11-hydroxy-17-(2-hydroxy-1-oxoethyl)-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] ester",
        "2,2,3,3,3-pentadeuteriopropionic acid [(8S,10S,11S,13S,14S,16S,17R)-9-fluoro-17-glycoloyl-11-hydroxy-3-keto-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] ester",
        "[(8R,9S,10S,11S,13S,14S,16S,17R)-9-fluoranyl-10,13,16-trimethyl-11-oxidanyl-17-(2-oxidanylethanoyl)-3-oxidanylidene-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] propanoate",
        "[(8R,9S,10S,11S,13S,14S,16S,17R)-9-fluoro-11-hydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] propanoate",
        "[(8S,10S,11S,13S,14S,16S,17R)-9-fluoranyl-10,13,16-trimethyl-11-oxidanyl-17-(2-oxidanylethanoyl)-3-oxidanylidene-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] 2,2,3,3,3-pentadeuteriopropanoate",
        "[(8S,10S,11S,13S,14S,16S,17R)-9-fluoranyl-10,13,16-trimethyl-11-oxidanyl-17-(2-oxidanylethanoyl)-3-oxidanylidene-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] propanoate",
        "[(8S,10S,11S,13S,14S,16S,17R)-9-fluoro-11-hydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] 2,2,3,3,3-pentadeuteriopropanoate",
        "[(8S,10S,11S,13S,14S,16S,17R)-9-fluoro-11-hydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] propanoate",
        "[(8S,9R,10S,11S,13S,14S,16S,17R)-9-fluoranyl-10,13,16-trimethyl-11-oxidanyl-17-(2-oxidanylethanoyl)-3-oxidanylidene-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] propanoate",
        "[(8S,9R,10S,11S,13S,14S,16S,17R)-9-fluoro-11-hydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] propanoate",
        "[(9R,10S,11S,13S,16R,17R)-4,6-dideuterio-17-(2,2-dideuterio-2-hydroxy-acetyl)-9-fluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] acetate",
        "[(9R,10S,11S,13S,16R,17R)-4,6-dideuterio-17-(2,2-dideuterio-2-hydroxyacetyl)-9-fluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] acetate",
        "[(9R,10S,11S,13S,16R,17R)-4,6-dideuterio-17-(2,2-dideuterio-2-oxidanyl-ethanoyl)-9-fluoranyl-10,13,16-trimethyl-11-oxidanyl-3-oxidanylidene-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] ethanoate",
        "[(9R,10S,11S,13S,16S,17R)-17-(2-carboxyoxyacetyl)-9-fluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] propanoate",
        "[(9R,10S,11S,13S,16S,17R)-17-(2-carboxyoxyethanoyl)-9-fluoranyl-10,13,16-trimethyl-11-oxidanyl-3-oxidanylidene-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] propanoate",
        "[(9R,10S,11S,13S,16S,17R)-9-fluoranyl-10,13,16-trimethyl-11-oxidanyl-17-(2-oxidanylethanoyl)-3-oxidanylidene-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] propanoate",
        "[(9R,10S,11S,13S,16S,17R)-9-fluoro-11-hydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] propanoate",
        "[(9R,10S,13S,17R)-9-fluoranyl-10,13,16-trimethyl-11-oxidanyl-17-(2-oxidanylethanoyl)-3-oxidanylidene-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] propanoate",
        "[(9R,10S,13S,17R)-9-fluoro-11-hydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] propanoate",
        "[9-fluoranyl-10,13,16-trimethyl-11-oxidanyl-17-(2-oxidanylethanoyl)-3-oxidanylidene-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] propanoate",
        "[9-fluoro-11-hydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] propanoate",
        "acetic acid [(9R,10S,11S,13S,16R,17R)-4,6-dideuterio-17-(2,2-dideuterio-2-hydroxy-1-oxoethyl)-9-fluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] ester",
        "acetic acid [(9R,10S,11S,13S,16R,17R)-4,6-dideuterio-17-(2,2-dideuterio-2-hydroxy-acetyl)-9-fluoro-11-hydroxy-3-keto-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] ester",
        "propanoic acid [(8R,9S,10S,11S,13S,14S,16S,17R)-9-fluoro-11-hydroxy-17-(2-hydroxy-1-oxoethyl)-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] ester",
        "propanoic acid [(8S,10S,11S,13S,14S,16S,17R)-9-fluoro-11-hydroxy-17-(2-hydroxy-1-oxoethyl)-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] ester",
        "propanoic acid [(8S,9R,10S,11S,13S,14S,16S,17R)-9-fluoro-11-hydroxy-17-(2-hydroxy-1-oxoethyl)-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] ester",
        "propanoic acid [(9R,10S,11S,13S,16S,17R)-17-(2-carboxyoxy-1-oxoethyl)-9-fluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] ester",
        "propanoic acid [(9R,10S,11S,13S,16S,17R)-9-fluoro-11-hydroxy-17-(2-hydroxy-1-oxoethyl)-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] ester",
        "propanoic acid [(9R,10S,13S,17R)-9-fluoro-11-hydroxy-17-(2-hydroxy-1-oxoethyl)-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] ester",
        "propanoic acid [9-fluoro-11-hydroxy-17-(2-hydroxy-1-oxoethyl)-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] ester",
        "propionic acid (9-fluoro-17-glycoloyl-11-hydroxy-3-keto-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl) ester",
        "propionic acid [(8R,9S,10S,11S,13S,14S,16S,17R)-9-fluoro-17-glycoloyl-11-hydroxy-3-keto-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] ester",
        "propionic acid [(8S,10S,11S,13S,14S,16S,17R)-9-fluoro-17-glycoloyl-11-hydroxy-3-keto-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] ester",
        "propionic acid [(8S,9R,10S,11S,13S,14S,16S,17R)-9-fluoro-17-glycoloyl-11-hydroxy-3-keto-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] ester",
        "propionic acid [(9R,10S,11S,13S,16S,17R)-17-(2-carboxyoxyacetyl)-9-fluoro-11-hydroxy-3-keto-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] ester",
        "propionic acid [(9R,10S,11S,13S,16S,17R)-9-fluoro-17-glycoloyl-11-hydroxy-3-keto-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] ester",
        "propionic acid [(9R,10S,13S,17R)-9-fluoro-17-glycoloyl-11-hydroxy-3-keto-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] ester"
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