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17 Beta-acetoxy-5 Alpha-androstan-3-one

UUID 65fa54aa-3671-4f31-994f-cbbe31a05dcb
Deprecated yes
Replaced By 4ce7f2ec-968c-4bba-b5a6-2b1cec8dcba5
Flow Object IDfo-daf3bf167d7cc1ac
Source EF 3.1
Context Environmental → Ground → Unknown
CAS Numbers 1164-92-7
EC Numbers 601-431-2
prefLabel
Language Value Provenance
en 17 Beta-acetoxy-5 Alpha-androstan-3-one
altLabel ⓘ
Language Value Provenance
en (5β,17β)-17-(Acetyloxy)androstan-3-one
en 17β-Acetoxy-5β-androstan-3-one
en 17β-Hydroxy-5β-androstan-3-one acetate
en 3-Oxo-5β-androstan-17β-yl acetate
en 5β-Androstan-3-one, 17β-hydroxy-, acetate
en 5β-Dihydrotestosterone acetate
en Androstan-3-one, 17-(acetyloxy)-, (5β,17β)-
en NSC 12878
References
Shared Properties
Predicate Value
InChIKey ILCTUFVQFCIIDS-KRUBMYLRSA-N, ILCTUFVQFCIIDS-UHFFFAOYSA-N, WBKRPARQLGRVHF-UHFFFAOYSA-N
InChI InChI=1S/C12H3Cl7O/c13-4-1-6(15)9(3-5(4)14)20-12-8(17)2-7(16)10(18)11(12)19/h1-3H, InChI=1S/C21H32O3/c1-13(22)24-19-7-6-17-16-5-4-14-12-15(23)8-10-20(14,2)18(16)9-11-21(17,19)3/h14,16-19H,4-12H2,1-3H3, InChI=1S/C21H32O3/c1-13(22)24-19-7-6-17-16-5-4-14-12-15(23)8-10-20(14,2)18(16)9-11-21(17,19)3/h14,16-19H,4-12H2,1-3H3/t14-,16+,17+,18+,19+,20+,21+/m1/s1
IUPAC name (10,13-dimethyl-3-oxidanylidene-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl) ethanoate, (10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl) acetate, 1,2,3,5-tetrachloro-4-(2,4,5-trichlorophenoxy)benzene, 1,2,3,5-tetrakis(chloranyl)-4-[2,4,5-tris(chloranyl)phenoxy]benzene, [(5R,8R,9S,10S,13S,14S,17S)-10,13-dimethyl-3-oxidanylidene-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl] ethanoate, [(5R,8R,9S,10S,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl] acetate, acetic acid (10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl) ester, acetic acid (3-keto-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl) ester, acetic acid [(5R,8R,9S,10S,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl] ester, acetic acid [(5R,8R,9S,10S,13S,14S,17S)-3-keto-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl] ester
Molecular formula C12H3Cl7O, C21H32O3
SMILES C1=C(C(=CC(=C1Cl)Cl)Cl)OC2=C(C(=C(C=C2Cl)Cl)Cl)Cl, CC(=O)OC1CCC2C1(CCC3C2CCC4C3(CCC(=O)C4)C)C, CC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CCC(=O)C4)C)C

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 65fa54aa-3671-4f31-994f-cbbe31a05dcb 17 beta-acetoxy-5 alpha-androstan-3-one

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=17beta-acetoxy-5alpha-androstan-3-one||dimension=Environmental > media=Ground > geography=Agricultural; cas=1164-92-7; added Common Chemistry CAS names as altLabel: (5β,17β)-17-(Acetyloxy)androstan-3-one, 17β-Acetoxy-5β-androstan-3-one, 17β-Hydroxy-5β-androstan-3-one acetate, 3-Oxo-5β-androstan-17β-yl acetate, 5β-Androstan-3-one, 17β-hydroxy-, acetate, 5β-Dihydrotestosterone acetate, Androstan-3-one, 17-(acetyloxy)-, (5β,17β)-, NSC 12878; object_uuid=fo-daf3bf167d7cc1ac
cas_match_labels 1 — consensus_match group_key=17beta-acetoxy-5alpha-androstan-3-one||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['pubchem']; cas_sources={'1164-92-7': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-daf3bf167d7cc1ac: {'1164-92-7': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaGround
geographyUnknown

Consensus Changes

Field Old Value New Value Comment
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cas_match_labels None {'1164-92-7': 'exactMatch'} group_key=17beta-acetoxy-5alpha-androstan-3-one||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['pubchem']; cas_sources={'1164-92-7': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-daf3bf167d7cc1ac: {'1164-92-7': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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        "1,2,3,5-tetrachloro-4-(2,4,5-trichlorophenoxy)benzene",
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        "acetic acid [(5R,8R,9S,10S,13S,14S,17S)-3-keto-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl] ester"
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