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17 Beta-hydroxy-17 Alpha-(3-hydroxypropyl)-4-androsten-3-one

UUID f5164285-1f87-4258-90bd-86e3d17a8046
Flow Object IDfo-c5a522aef71529a0
Source EF 3.1
Context Environmental → Water → Unknown
CAS Numbers 55542-27-3
EC Numbers 259-701-7
prefLabel
Language Value Provenance
en 17 Beta-hydroxy-17 Alpha-(3-hydroxypropyl)-4-androsten-3-one
altLabel ⓘ
Language Value Provenance
en (17β)-17-Hydroxy-17-(3-hydroxypropyl)androst-4-en-3-one
en 17α-(3-Hydroxypropyl)-17-hydroxyandrost-4-en-3-one
en Androst-4-en-3-one, 17-hydroxy-17-(3-hydroxypropyl)-, (17β)-
en Androst-4-en-3-one, 17β-hydroxy-17-(3-hydroxypropyl)-
References
Shared Properties
Predicate Value
InChIKey BBQBWWOTUMFPIE-GUCLMQHLSA-N
InChI InChI=1S/C22H34O3/c1-20-10-6-16(24)14-15(20)4-5-17-18(20)7-11-21(2)19(17)8-12-22(21,25)9-3-13-23/h14,17-19,23,25H,3-13H2,1-2H3/t17-,18+,19+,20+,21+,22+/m1/s1
IUPAC name (8R,9S,10R,13S,14S,17R)-10,13-dimethyl-17-oxidanyl-17-(3-oxidanylpropyl)-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one, (8R,9S,10R,13S,14S,17R)-17-hydroxy-17-(3-hydroxypropyl)-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
Molecular formula C22H34O3
SMILES CC12CCC(=O)C=C1CCC3C2CCC4(C3CCC4(CCCO)O)C, C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@]4(CCCO)O)C

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 f5164285-1f87-4258-90bd-86e3d17a8046 17 beta-hydroxy-17 alpha-(3-hydroxypropyl)-4-androsten-3-one

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 17 beta-hydroxy-17 alpha-(3-hydroxypropyl)-4-androsten-3-one 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=17beta-hydroxy-17alpha-(3-hydroxypropyl)-4-androsten-3-one||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); cas=55542-27-3; added Common Chemistry CAS names as altLabel: (17β)-17-Hydroxy-17-(3-hydroxypropyl)androst-4-en-3-one, 17α-(3-Hydroxypropyl)-17-hydroxyandrost-4-en-3-one, Androst-4-en-3-one, 17-hydroxy-17-(3-hydroxypropyl)-, (17β)-, Androst-4-en-3-one, 17β-hydroxy-17-(3-hydroxypropyl)-; object_uuid=fo-c5a522aef71529a0
cas_match_labels 1 — consensus_match group_key=17beta-hydroxy-17alpha-(3-hydroxypropyl)-4-androsten-3-one||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=['ec_inventory']; cas_sources={'55542-27-3': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-c5a522aef71529a0: {'55542-27-3': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaWater
water_bodyUnknown

Consensus Changes

Field Old Value New Value Comment
altLabel None [{'@value': '(17β)-17-Hydroxy-17-(3-hydroxypropyl)androst-4-en-3-one', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:55542-27-3', 'https://commonchemistry.cas.org/detail?cas_rn=55542-27-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '17α-(3-Hydroxypropyl)-17-hydroxyandrost-4-en-3-one', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:55542-27-3', 'https://commonchemistry.cas.org/detail?cas_rn=55542-27-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Androst-4-en-3-one, 17-hydroxy-17-(3-hydroxypropyl)-, (17β)-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:55542-27-3', 'https://commonchemistry.cas.org/detail?cas_rn=55542-27-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Androst-4-en-3-one, 17β-hydroxy-17-(3-hydroxypropyl)-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:55542-27-3', 'https://commonchemistry.cas.org/detail?cas_rn=55542-27-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=17beta-hydroxy-17alpha-(3-hydroxypropyl)-4-androsten-3-one||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); cas=55542-27-3; added Common Chemistry CAS names as altLabel: (17β)-17-Hydroxy-17-(3-hydroxypropyl)androst-4-en-3-one, 17α-(3-Hydroxypropyl)-17-hydroxyandrost-4-en-3-one, Androst-4-en-3-one, 17-hydroxy-17-(3-hydroxypropyl)-, (17β)-, Androst-4-en-3-one, 17β-hydroxy-17-(3-hydroxypropyl)-; object_uuid=fo-c5a522aef71529a0
cas_match_labels None {'55542-27-3': 'exactMatch'} group_key=17beta-hydroxy-17alpha-(3-hydroxypropyl)-4-androsten-3-one||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=['ec_inventory']; cas_sources={'55542-27-3': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-c5a522aef71529a0: {'55542-27-3': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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