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

UUID 4a93f88e-49f4-4882-82cf-c7ab5d9fa301
Flow Object IDfo-529914d3d5f26555
Source EF 3.1
Context Environmental → Water → 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 4a93f88e-49f4-4882-82cf-c7ab5d9fa301 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 water/Emissions to water, 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

AttributeValue
dimensionEnvironmental
mediaWater
water_bodyUnknown

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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