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6 Alpha-fluoro-11 Beta-hydroxy-16 Alpha-methyl-21-valeryloxy-1,4-pregnadiene-3,20-dione

UUID 0a109af9-f5be-4ae3-98ee-152d0eaeb7f9
Flow Object IDfo-a89e7d9c89dd4cb2
Source EF 3.1
Context Environmental → Ground → Unknown
CAS Numbers 36130-02-6
EC Numbers 609-203-4
prefLabel
Language Value Provenance
en 6 Alpha-fluoro-11 Beta-hydroxy-16 Alpha-methyl-21-valeryloxy-1,4-pregnadiene-3,20-dione
altLabel ⓘ
Language Value Provenance
en 6α-Fluoro-11β-hydroxy-21-valeryloxy-16α-methylpregna-1,4-diene-3,20-dione
en Pregna-1,4-diene-3,20-dione, 6-fluoro-11-hydroxy-16-methyl-21-[(1-oxopentyl)oxy]-, (6α,11β,16α)-
References
Shared Properties
Predicate Value
InChIKey ASVQNGFDDHFBPT-VJBCMVKLSA-N
InChI InChI=1S/C27H37FO5/c1-5-6-7-23(32)33-14-22(31)24-15(2)10-18-17-12-20(28)19-11-16(29)8-9-26(19,3)25(17)21(30)13-27(18,24)4/h8-9,11,15,17-18,20-21,24-25,30H,5-7,10,12-14H2,1-4H3/t15-,17+,18+,20+,21+,24-,25-,26+,27+/m1/s1
IUPAC name [2-[(6S,8S,9S,10R,11S,13S,14S,16R,17S)-6-fluoranyl-10,13,16-trimethyl-11-oxidanyl-3-oxidanylidene-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-2-oxidanylidene-ethyl] pentanoate, [2-[(6S,8S,9S,10R,11S,13S,14S,16R,17S)-6-fluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] pentanoate, [2-[(6S,8S,9S,10R,11S,13S,14S,16R,17S)-6-fluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] pentanoate, pentanoic acid [2-[(6S,8S,9S,10R,11S,13S,14S,16R,17S)-6-fluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] ester, valeric acid [2-[(6S,8S,9S,10R,11S,13S,14S,16R,17S)-6-fluoro-11-hydroxy-3-keto-10,13,16-trimethyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-2-keto-ethyl] ester
Molecular formula C27H37FO5
SMILES CCCCC(=O)OCC(=O)C1C(CC2C1(CC(C3C2CC(C4=CC(=O)C=CC34C)F)O)C)C, CCCCC(=O)OCC(=O)[C@H]1[C@@H](C[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2C[C@@H](C4=CC(=O)C=C[C@]34C)F)O)C)C

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 0a109af9-f5be-4ae3-98ee-152d0eaeb7f9 6 alpha-fluoro-11 beta-hydroxy-16 alpha-methyl-21-valeryloxy-1,4-pregnadiene-3,20-dione

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 6 alpha-fluoro-11 beta-hydroxy-16 alpha-methyl-21-valeryloxy-1,4-pregnadiene-3,20-dione Emissions/Emissions to soil/Emissions to soil, 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=6alpha-fluoro-11beta-hydroxy-16alpha-methyl-21-valeryloxy-1,4-pregnadiene-3,20-dione||dimension=Environmental > media=Water > water_body=Unknown; cas=36130-02-6; added Common Chemistry CAS names as altLabel: 6α-Fluoro-11β-hydroxy-21-valeryloxy-16α-methylpregna-1,4-diene-3,20-dione, Pregna-1,4-diene-3,20-dione, 6-fluoro-11-hydroxy-16-methyl-21-[(1-oxopentyl)oxy]-, (6α,11β,16α)-; object_uuid=fo-a89e7d9c89dd4cb2
cas_match_labels 1 — consensus_match group_key=6alpha-fluoro-11beta-hydroxy-16alpha-methyl-21-valeryloxy-1,4-pregnadiene-3,20-dione||dimension=Environmental > media=Water > water_body=Unknown; group_sources=[]; cas_sources={'36130-02-6': []}; assigned CAS labels from group consensus; object_uuid=fo-a89e7d9c89dd4cb2: {'36130-02-6': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaGround
geographyUnknown

Consensus Changes

Field Old Value New Value Comment
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cas_match_labels None {'36130-02-6': 'exactMatch'} group_key=6alpha-fluoro-11beta-hydroxy-16alpha-methyl-21-valeryloxy-1,4-pregnadiene-3,20-dione||dimension=Environmental > media=Water > water_body=Unknown; group_sources=[]; cas_sources={'36130-02-6': []}; assigned CAS labels from group consensus; object_uuid=fo-a89e7d9c89dd4cb2: {'36130-02-6': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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        "[2-[(6S,8S,9S,10R,11S,13S,14S,16R,17S)-6-fluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] pentanoate",
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