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10,13-dimethyl-1,6,7,8,9,10,11,12,13,14,15,16-dodecahydro-3'h-spiro[cyclopenta[a]phenanthrene-17,2'-furan]-3,5'(2h,4'h)-dione

UUID 5b242fba-2345-4c2b-b691-ca3591022571
Flow Object IDfo-97f30f23b8edaa6d
Source EF 3.1
Context Environmental → Air → Ground level → Rural (<1000 people/square mile)
CAS Numbers 976-70-5
EC Numbers 213-552-4
prefLabel
Language Value Provenance
en 10,13-dimethyl-1,6,7,8,9,10,11,12,13,14,15,16-dodecahydro-3'h-spiro[cyclopenta[a]phenanthrene-17,2'-furan]-3,5'(2h,4'h)-dione
altLabel ⓘ
Language Value Provenance
en 17α-Pregn-4-ene-21-carboxylic acid, 17-hydroxy-3-oxo-, γ-lactone
en 17β-Hydroxy-3-oxopregn-4-en-21-carboxylic acid γ-lactone
en 3-(3-Oxo-17β-hydroxy-4-androsten-17-yl)propionic acid γ-lactone
en 3-(3-Oxo-17β-hydroxyandrost-4-en-17α-yl)propiolactone
en 3′-(3-Oxo-17β-hydroxyandrost-4-en-17α-yl)-propionic acid lactone
en 6,7-Dihydrocanrenone
en Pregn-4-ene-21-carboxylic acid, 17-hydroxy-3-oxo-, γ-lactone, (17α)-
en SC 5233
References
Shared Properties
Predicate Value
InChIKey UWBICEKKOYXZRG-UHFFFAOYSA-N, UWBICEKKOYXZRG-WNHSNXHDSA-N, ZLSOKZQPVJYNKB-UHFFFAOYSA-N
InChI InChI=1S/C22H30O3/c1-20-9-5-15(23)13-14(20)3-4-16-17(20)6-10-21(2)18(16)7-11-22(21)12-8-19(24)25-22/h13,16-18H,3-12H2,1-2H3, InChI=1S/C22H30O3/c1-20-9-5-15(23)13-14(20)3-4-16-17(20)6-10-21(2)18(16)7-11-22(21)12-8-19(24)25-22/h13,16-18H,3-12H2,1-2H3/t16-,17+,18+,20+,21+,22-/m1/s1, InChI=1S/C6H10N2O4/c9-5(10)3-4(6(11)12)8-2-1-7-3/h3-4,7-8H,1-2H2,(H,9,10)(H,11,12)
IUPAC name (8R,9S,10R,13S,14S,17R)-10,13-dimethylspiro[2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-17,5'-oxolane]-2',3-dione, (8R,9S,10R,13S,14S,17R)-10,13-dimethylspiro[2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-17,5'-tetrahydrofuran]-2',3-dione, (8R,9S,10R,13S,14S,17R)-10,13-dimethylspiro[2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-17,5'-tetrahydrofuran]-2',3-quinone, 10,13-dimethylspiro[2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-17,5'-oxolane]-2',3-dione, 10,13-dimethylspiro[2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-17,5'-tetrahydrofuran]-2',3-dione, 10,13-dimethylspiro[2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-17,5'-tetrahydrofuran]-2',3-quinone, piperazine-2,3-dicarboxylic acid
Molecular formula C22H30O3, C6H10N2O4
SMILES C1CNC(C(N1)C(=O)O)C(=O)O, CC12CCC(=O)C=C1CCC3C2CCC4(C3CCC45CCC(=O)O5)C, C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@]45CCC(=O)O5)C

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 5b242fba-2345-4c2b-b691-ca3591022571 10,13-dimethyl-1,6,7,8,9,10,11,12,13,14,15,16-dodecahydro-3'h-spiro[cyclopenta[a]phenanthrene-17,2'-furan]-3,5'(2h,4'h)-dione

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 10,13-dimethyl-1,6,7,8,9,10,11,12,13,14,15,16-dodecahydro-3'h-spiro[cyclopenta[a]phenanthrene-17,2'-furan]-3,5'(2h,4'h)-dione Emissions/Emissions to air/Emissions to air, unspecified (long-term) 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=10,13-dimethyl-1,6,7,8,9,10,11,12,13,14,15,16-dodecahydro-3'h-spiro[cyclopenta[a]phenanthrene-17,2'-furan]-3,5'(2h,4'h)-dione||dimension=Environmental > media=Air > indoor=Unknown; cas=976-70-5; added Common Chemistry CAS names as altLabel: 17α-Pregn-4-ene-21-carboxylic acid, 17-hydroxy-3-oxo-, γ-lactone, 17β-Hydroxy-3-oxopregn-4-en-21-carboxylic acid γ-lactone, 3-(3-Oxo-17β-hydroxy-4-androsten-17-yl)propionic acid γ-lactone, 3-(3-Oxo-17β-hydroxyandrost-4-en-17α-yl)propiolactone, 3′-(3-Oxo-17β-hydroxyandrost-4-en-17α-yl)-propionic acid lactone, 6,7-Dihydrocanrenone, Pregn-4-ene-21-carboxylic acid, 17-hydroxy-3-oxo-, γ-lactone, (17α)-, SC 5233; object_uuid=fo-97f30f23b8edaa6d
cas_match_labels 1 — consensus_match group_key=10,13-dimethyl-1,6,7,8,9,10,11,12,13,14,15,16-dodecahydro-3'h-spiro[cyclopenta[a]phenanthrene-17,2'-furan]-3,5'(2h,4'h)-dione||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['ec_inventory']; cas_sources={'976-70-5': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-97f30f23b8edaa6d: {'976-70-5': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaAir
strataGround level
population_densityRural (<1000 people/square mile)

Consensus Changes

Field Old Value New Value Comment
altLabel None [{'@value': '17α-Pregn-4-ene-21-carboxylic acid, 17-hydroxy-3-oxo-, γ-lactone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:976-70-5', 'https://commonchemistry.cas.org/detail?cas_rn=976-70-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '17β-Hydroxy-3-oxopregn-4-en-21-carboxylic acid γ-lactone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:976-70-5', 'https://commonchemistry.cas.org/detail?cas_rn=976-70-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '3-(3-Oxo-17β-hydroxy-4-androsten-17-yl)propionic acid γ-lactone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:976-70-5', 'https://commonchemistry.cas.org/detail?cas_rn=976-70-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '3-(3-Oxo-17β-hydroxyandrost-4-en-17α-yl)propiolactone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:976-70-5', 'https://commonchemistry.cas.org/detail?cas_rn=976-70-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '3′-(3-Oxo-17β-hydroxyandrost-4-en-17α-yl)-propionic acid lactone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:976-70-5', 'https://commonchemistry.cas.org/detail?cas_rn=976-70-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '6,7-Dihydrocanrenone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:976-70-5', 'https://commonchemistry.cas.org/detail?cas_rn=976-70-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Pregn-4-ene-21-carboxylic acid, 17-hydroxy-3-oxo-, γ-lactone, (17α)-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:976-70-5', 'https://commonchemistry.cas.org/detail?cas_rn=976-70-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'SC 5233', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:976-70-5', 'https://commonchemistry.cas.org/detail?cas_rn=976-70-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=10,13-dimethyl-1,6,7,8,9,10,11,12,13,14,15,16-dodecahydro-3'h-spiro[cyclopenta[a]phenanthrene-17,2'-furan]-3,5'(2h,4'h)-dione||dimension=Environmental > media=Air > indoor=Unknown; cas=976-70-5; added Common Chemistry CAS names as altLabel: 17α-Pregn-4-ene-21-carboxylic acid, 17-hydroxy-3-oxo-, γ-lactone, 17β-Hydroxy-3-oxopregn-4-en-21-carboxylic acid γ-lactone, 3-(3-Oxo-17β-hydroxy-4-androsten-17-yl)propionic acid γ-lactone, 3-(3-Oxo-17β-hydroxyandrost-4-en-17α-yl)propiolactone, 3′-(3-Oxo-17β-hydroxyandrost-4-en-17α-yl)-propionic acid lactone, 6,7-Dihydrocanrenone, Pregn-4-ene-21-carboxylic acid, 17-hydroxy-3-oxo-, γ-lactone, (17α)-, SC 5233; object_uuid=fo-97f30f23b8edaa6d
cas_match_labels None {'976-70-5': 'exactMatch'} group_key=10,13-dimethyl-1,6,7,8,9,10,11,12,13,14,15,16-dodecahydro-3'h-spiro[cyclopenta[a]phenanthrene-17,2'-furan]-3,5'(2h,4'h)-dione||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['ec_inventory']; cas_sources={'976-70-5': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-97f30f23b8edaa6d: {'976-70-5': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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        "(8R,9S,10R,13S,14S,17R)-10,13-dimethylspiro[2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-17,5'-tetrahydrofuran]-2',3-quinone",
        "10,13-dimethylspiro[2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-17,5'-oxolane]-2',3-dione",
        "10,13-dimethylspiro[2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-17,5'-tetrahydrofuran]-2',3-dione",
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