11a-hydroxy-estr-4-ene-3,17-dione

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11a-hydroxy-estr-4-ene-3,17-dione

UUID effc47f0-7490-47e1-b295-70747480a8f9

Flow Object ID fo-529914d3d5f26555

Source EF 3.1

Context Environmental → Air → Unknown

CAS Numbers 6615-00-5

EC Numbers 613-901-4

prefLabel

Language	Value	Provenance
`en`	`11a-hydroxy-estr-4-ene-3,17-dione`

altLabel ⓘ

Language	Value	Provenance
`en`	`(11α)-11-Hydroxyestr-4-ene-3,17-dione`
`en`	`11α-Hydroxyestr-4-ene-3,17-dione`
`en`	`Estr-4-ene-3,17-dione, 11-hydroxy-, (11α)-`
`en`	`Estr-4-ene-3,17-dione, 11α-hydroxy-`

References

Shared Properties

Predicate	Value
InChIKey	`VDCOSJPGDDQNJH-JVSYPLCOSA-N, VDCOSJPGDDQNJH-OLKDXYPGSA-N, VUJQUQJZMAVVBE-ZRTWPRGNSA-N`
InChI	`InChI=1S/C18H24O3/c1-18-9-15(20)17-12-5-3-11(19)8-10(12)2-4-13(17)14(18)6-7-16(18)21/h8,12-15,17,20H,2-7,9H2,1H3/t12-,13-,14-,15+,17+,18-/m0/s1, InChI=1S/C18H24O3/c1-18-9-15(20)17-12-5-3-11(19)8-10(12)2-4-13(17)14(18)6-7-16(18)21/h8,12-15,17,20H,2-7,9H2,1H3/t12?,13?,14?,15?,17?,18-/m0/s1, InChI=1S/C19H26O3/c1-19-10-16(21)18-13-8-6-12(20)9-11(13)5-7-14(18)15(19)3-2-4-17(19)22/h9,13-16,18,21H,2-8,10H2,1H3/t13-,14-,15-,16+,18+,19-/m0/s1`
IUPAC name	(13S)-11-hydroxy-13-methyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,17-dione, (13S)-11-hydroxy-13-methyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,17-quinone, (13S)-13-methyl-11-oxidanyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,17-dione, (4aS,4bS,10aR,10bS,11R,12aS)-11-hydroxy-12a-methyl-3,4,4a,4b,5,6,9,10,10a,10b,11,12-dodecahydro-2H-chrysene-1,8-dione, (4aS,4bS,10aR,10bS,11R,12aS)-11-hydroxy-12a-methyl-3,4,4a,4b,5,6,9,10,10a,10b,11,12-dodecahydro-2H-chrysene-1,8-quinone, (4aS,4bS,10aR,10bS,11R,12aS)-12a-methyl-11-oxidanyl-3,4,4a,4b,5,6,9,10,10a,10b,11,12-dodecahydro-2H-chrysene-1,8-dione, (8S,9S,10R,11R,13S,14S)-11-hydroxy-13-methyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,17-dione, (8S,9S,10R,11R,13S,14S)-11-hydroxy-13-methyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,17-quinone, (8S,9S,10R,11R,13S,14S)-13-methyl-11-oxidanyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,17-dione
Molecular formula	`C18H24O3, C19H26O3`
SMILES	`CC12CC(C3C(C1CCC2=O)CCC4=CC(=O)CCC34)O, CC12CC(C3C(C1CCCC2=O)CCC4=CC(=O)CCC34)O, C[C@]12CC(C3C(C1CCC2=O)CCC4=CC(=O)CCC34)O, C[C@]12C[C@H]([C@H]3[C@H]([C@@H]1CCC2=O)CCC4=CC(=O)CC[C@H]34)O, C[C@]12C[C@H]([C@H]3[C@H]([C@@H]1CCCC2=O)CCC4=CC(=O)CC[C@H]34)O`

Source List References

List	Version	Source Flow UUID	Source Flow Name
EF	3.1	`effc47f0-7490-47e1-b295-70747480a8f9`	11a-hydroxy-estr-4-ene-3,17-dione

Concept Associations

Source List	Source Flow	Source Context	Unit	Match Type	Conversion	Provenance
EF 3.1	11a-hydroxy-estr-4-ene-3,17-dione	Emissions/Emissions to air/Emissions to air, unspecified	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=11a-hydroxy-estr-4-ene-3,17-dione\|\|dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); cas=6615-00-5; added Common Chemistry CAS names as altLabel: (11α)-11-Hydroxyestr-4-ene-3,17-dione, 11α-Hydroxyestr-4-ene-3,17-dione, Estr-4-ene-3,17-dione, 11-hydroxy-, (11α)-, Estr-4-ene-3,17-dione, 11α-hydroxy-; object_uuid=fo-529914d3d5f26555
`cas_match_labels`	1	`—`	consensus_match	group_key=11a-hydroxy-estr-4-ene-3,17-dione\|\|dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['pubchem']; cas_sources={'6615-00-5': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-529914d3d5f26555: {'6615-00-5': 'exactMatch'}

Context Attributes

Attribute	Value
dimension	Environmental
media	Air
strata	Unknown

Consensus Changes

Field	Old Value	New Value	Comment
`altLabel`	`None`	[{'@value': '(11α)-11-Hydroxyestr-4-ene-3,17-dione', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:6615-00-5', 'https://commonchemistry.cas.org/detail?cas_rn=6615-00-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '11α-Hydroxyestr-4-ene-3,17-dione', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:6615-00-5', 'https://commonchemistry.cas.org/detail?cas_rn=6615-00-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Estr-4-ene-3,17-dione, 11-hydroxy-, (11α)-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:6615-00-5', 'https://commonchemistry.cas.org/detail?cas_rn=6615-00-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Estr-4-ene-3,17-dione, 11α-hydroxy-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:6615-00-5', 'https://commonchemistry.cas.org/detail?cas_rn=6615-00-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}]	group_key=11a-hydroxy-estr-4-ene-3,17-dione\|\|dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); cas=6615-00-5; added Common Chemistry CAS names as altLabel: (11α)-11-Hydroxyestr-4-ene-3,17-dione, 11α-Hydroxyestr-4-ene-3,17-dione, Estr-4-ene-3,17-dione, 11-hydroxy-, (11α)-, Estr-4-ene-3,17-dione, 11α-hydroxy-; object_uuid=fo-529914d3d5f26555
`cas_match_labels`	`None`	`{'6615-00-5': 'exactMatch'}`	group_key=11a-hydroxy-estr-4-ene-3,17-dione\|\|dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['pubchem']; cas_sources={'6615-00-5': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-529914d3d5f26555: {'6615-00-5': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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        "(13S)-11-hydroxy-13-methyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,17-quinone",
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        "(4aS,4bS,10aR,10bS,11R,12aS)-12a-methyl-11-oxidanyl-3,4,4a,4b,5,6,9,10,10a,10b,11,12-dodecahydro-2H-chrysene-1,8-dione",
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        "(8S,9S,10R,11R,13S,14S)-13-methyl-11-oxidanyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,17-dione"
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