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3-methoxyestra-1,3,5(10)-trien-17-one

UUID f06ab9e4-776c-463a-86bb-e876d239417d
Flow Object IDfo-f1164ce4dad0bfc0
Source EF 3.1
Context Environmental → Air → Ground level → Rural (<1000 people/square mile)
CAS Numbers 1624-62-0
EC Numbers 216-613-3
prefLabel
Language Value Provenance
en 3-methoxyestra-1,3,5(10)-trien-17-one
altLabel ⓘ
Language Value Provenance
en (+)-Estrone 3-methyl ether
en (+)-Estrone methyl ether
en (8R,9S,13S,14S)-3-Methoxy-13-methyl-6,7,8,9,11,12,13,14,15,16-decahydro-17<em>H</em>-cyclopenta[<em>a</em>]phenanthren-17-one
en 3-<em>O</em>-Methylestrone
en 3-Methoxyestra-1,3,5(10)triene-17-one
en 3-Methoxyestra-1,3,5-trien-17-one
en 3-Methoxyestrone
en 3-Methoxyoestra-1,3,5(10)-trien-17-one
en Estra-1,3,5(10)-trien-17-one, 3-methoxy-
en Estrone 3-methyl ether
en Estrone <em>O</em>-methyl ether
en Estrone methyl ether
en Mestrone
en NSC 88911
en Oestrone methyl ether
References
Shared Properties
Predicate Value
InChIKey BCWWDWHFBMPLFQ-IMBTUZDBSA-N, BCWWDWHFBMPLFQ-QMUDONBSSA-N, BCWWDWHFBMPLFQ-UHFFFAOYSA-N, BCWWDWHFBMPLFQ-VXNCWWDNSA-N, WIHMTJNZZPFMGZ-UHFFFAOYSA-N
InChI InChI=1S/C13H19NO2S/c1-12-4-6-13(7-5-12)17(15,16)11-10-14-8-2-3-9-14/h4-7H,2-3,8-11H2,1H3, InChI=1S/C19H24O2/c1-19-10-9-15-14-6-4-13(21-2)11-12(14)3-5-16(15)17(19)7-8-18(19)20/h4,6,11,15-17H,3,5,7-10H2,1-2H3, InChI=1S/C19H24O2/c1-19-10-9-15-14-6-4-13(21-2)11-12(14)3-5-16(15)17(19)7-8-18(19)20/h4,6,11,15-17H,3,5,7-10H2,1-2H3/t15-,16-,17+,19+/m0/s1, InChI=1S/C19H24O2/c1-19-10-9-15-14-6-4-13(21-2)11-12(14)3-5-16(15)17(19)7-8-18(19)20/h4,6,11,15-17H,3,5,7-10H2,1-2H3/t15-,16-,17+,19+/m1/s1, InChI=1S/C19H24O2/c1-19-10-9-15-14-6-4-13(21-2)11-12(14)3-5-16(15)17(19)7-8-18(19)20/h4,6,11,15-17H,3,5,7-10H2,1-2H3/t15?,16?,17?,19-/m0/s1
IUPAC name (13S)-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one, (8R,9S,13S,14S)-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one, (8S,9R,13R,14R)-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one, 1-(2-tosylethyl)pyrrolidine, 1-[2-(4-methylphenyl)sulfonylethyl]pyrrolidine, 1-[2-(p-tolylsulfonyl)ethyl]pyrrolidine, 3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
Molecular formula C13H19NO2S, C19H24O2
SMILES CC12CCC3C(C1CCC2=O)CCC4=C3C=CC(=C4)OC, CC1=CC=C(C=C1)S(=O)(=O)CCN2CCCC2, C[C@@]12CC[C@@H]3[C@@H]([C@H]1CCC2=O)CCC4=C3C=CC(=C4)OC, C[C@]12CCC3C(C1CCC2=O)CCC4=C3C=CC(=C4)OC, C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=C3C=CC(=C4)OC

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 f06ab9e4-776c-463a-86bb-e876d239417d 3-methoxyestra-1,3,5(10)-trien-17-one

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 3-methoxyestra-1,3,5(10)-trien-17-one 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=3-methoxyestra-1,3,5(10)-trien-17-one||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); cas=1624-62-0; added Common Chemistry CAS names as altLabel: (+)-Estrone 3-methyl ether, (+)-Estrone methyl ether, (8R,9S,13S,14S)-3-Methoxy-13-methyl-6,7,8,9,11,12,13,14,15,16-decahydro-17<em>H</em>-cyclopenta[<em>a</em>]phenanthren-17-one, 3-<em>O</em>-Methylestrone, 3-Methoxyestra-1,3,5(10)triene-17-one, 3-Methoxyestra-1,3,5-trien-17-one, 3-Methoxyestrone, 3-Methoxyoestra-1,3,5(10)-trien-17-one, Estra-1,3,5(10)-trien-17-one, 3-methoxy-, Estrone 3-methyl ether, Estrone <em>O</em>-methyl ether, Estrone methyl ether, Mestrone, NSC 88911, Oestrone methyl ether; object_uuid=fo-f1164ce4dad0bfc0
cas_match_labels 1 — consensus_match group_key=3-methoxyestra-1,3,5(10)-trien-17-one||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['ec_inventory', 'pubchem']; cas_sources={'1624-62-0': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-f1164ce4dad0bfc0: {'1624-62-0': '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': '(+)-Estrone 3-methyl ether', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1624-62-0', 'https://commonchemistry.cas.org/detail?cas_rn=1624-62-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '(+)-Estrone methyl ether', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1624-62-0', 'https://commonchemistry.cas.org/detail?cas_rn=1624-62-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '(8R,9S,13S,14S)-3-Methoxy-13-methyl-6,7,8,9,11,12,13,14,15,16-decahydro-17<em>H</em>-cyclopenta[<em>a</em>]phenanthren-17-one', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1624-62-0', 'https://commonchemistry.cas.org/detail?cas_rn=1624-62-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '3-<em>O</em>-Methylestrone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1624-62-0', 'https://commonchemistry.cas.org/detail?cas_rn=1624-62-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '3-Methoxyestra-1,3,5(10)triene-17-one', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1624-62-0', 'https://commonchemistry.cas.org/detail?cas_rn=1624-62-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '3-Methoxyestra-1,3,5-trien-17-one', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1624-62-0', 'https://commonchemistry.cas.org/detail?cas_rn=1624-62-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '3-Methoxyestrone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1624-62-0', 'https://commonchemistry.cas.org/detail?cas_rn=1624-62-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '3-Methoxyoestra-1,3,5(10)-trien-17-one', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1624-62-0', 'https://commonchemistry.cas.org/detail?cas_rn=1624-62-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Estra-1,3,5(10)-trien-17-one, 3-methoxy-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1624-62-0', 'https://commonchemistry.cas.org/detail?cas_rn=1624-62-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Estrone 3-methyl ether', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1624-62-0', 'https://commonchemistry.cas.org/detail?cas_rn=1624-62-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Estrone <em>O</em>-methyl ether', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1624-62-0', 'https://commonchemistry.cas.org/detail?cas_rn=1624-62-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Estrone methyl ether', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1624-62-0', 'https://commonchemistry.cas.org/detail?cas_rn=1624-62-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Mestrone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1624-62-0', 'https://commonchemistry.cas.org/detail?cas_rn=1624-62-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'NSC 88911', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1624-62-0', 'https://commonchemistry.cas.org/detail?cas_rn=1624-62-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Oestrone methyl ether', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1624-62-0', 'https://commonchemistry.cas.org/detail?cas_rn=1624-62-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=3-methoxyestra-1,3,5(10)-trien-17-one||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); cas=1624-62-0; added Common Chemistry CAS names as altLabel: (+)-Estrone 3-methyl ether, (+)-Estrone methyl ether, (8R,9S,13S,14S)-3-Methoxy-13-methyl-6,7,8,9,11,12,13,14,15,16-decahydro-17<em>H</em>-cyclopenta[<em>a</em>]phenanthren-17-one, 3-<em>O</em>-Methylestrone, 3-Methoxyestra-1,3,5(10)triene-17-one, 3-Methoxyestra-1,3,5-trien-17-one, 3-Methoxyestrone, 3-Methoxyoestra-1,3,5(10)-trien-17-one, Estra-1,3,5(10)-trien-17-one, 3-methoxy-, Estrone 3-methyl ether, Estrone <em>O</em>-methyl ether, Estrone methyl ether, Mestrone, NSC 88911, Oestrone methyl ether; object_uuid=fo-f1164ce4dad0bfc0
cas_match_labels None {'1624-62-0': 'exactMatch'} group_key=3-methoxyestra-1,3,5(10)-trien-17-one||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['ec_inventory', 'pubchem']; cas_sources={'1624-62-0': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-f1164ce4dad0bfc0: {'1624-62-0': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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