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

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

UUID 4f97df44-4a5e-432c-85b6-938b156df333

Flow Object ID fo-daf3bf167d7cc1ac

Source EF 3.1

Context Environmental → Air → Aircraft cruise height

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	`4f97df44-4a5e-432c-85b6-938b156df333`	17 beta-acetoxy-5 alpha-androstan-3-one

Concept Associations

Source List	Source Flow	Source Context	Unit	Match Type	Conversion	Provenance
EF 3.1	17 beta-acetoxy-5 alpha-androstan-3-one	Emissions/Emissions to air/Emissions to lower stratosphere and upper troposphere	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=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

Attribute	Value
dimension	Environmental
media	Air
strata	Aircraft cruise height

Consensus Changes

Field	Old Value	New Value	Comment
`altLabel`	`None`	[{'@value': '(5β,17β)-17-(Acetyloxy)androstan-3-one', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1164-92-7', 'https://commonchemistry.cas.org/detail?cas_rn=1164-92-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '17β-Acetoxy-5β-androstan-3-one', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1164-92-7', 'https://commonchemistry.cas.org/detail?cas_rn=1164-92-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '17β-Hydroxy-5β-androstan-3-one acetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1164-92-7', 'https://commonchemistry.cas.org/detail?cas_rn=1164-92-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '3-Oxo-5β-androstan-17β-yl acetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1164-92-7', 'https://commonchemistry.cas.org/detail?cas_rn=1164-92-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '5β-Androstan-3-one, 17β-hydroxy-, acetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1164-92-7', 'https://commonchemistry.cas.org/detail?cas_rn=1164-92-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '5β-Dihydrotestosterone acetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1164-92-7', 'https://commonchemistry.cas.org/detail?cas_rn=1164-92-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Androstan-3-one, 17-(acetyloxy)-, (5β,17β)-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1164-92-7', 'https://commonchemistry.cas.org/detail?cas_rn=1164-92-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'NSC 12878', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1164-92-7', 'https://commonchemistry.cas.org/detail?cas_rn=1164-92-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}]	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`	`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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      "impact_category": "Aquatic eco-toxicity",
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      "characterization_factor": 22872.0
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      "characterization_factor": 22872.0
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  "source": "EF 3.1",
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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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