(8S,9R,10S,11S,13S,14S)-9-fluoro-11-hydroxy-10,13-dimethyl-17,17-bis(methylsulfanyl)-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one
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![(8S,9R,10S,11S,13S,14S)-9-fluoro-11-hydroxy-10,13-dimethyl-17,17-bis(methylsulfanyl)-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/5dd6387061e84e69a8e688c915651ebe.png "(8S,9R,10S,11S,13S,14S)-9-fluoro-11-hydroxy-10,13-dimethyl-17,17-bis(methylsulfanyl)-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one")
(8S,9R,10S,11S,13S,14S)-9-fluoro-11-hydroxy-10,13-dimethyl-17,17-bis(methylsulfanyl)-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one
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CAS No:
68159-85-3
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Formula:
C21H29FO2S2
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Chemical Name:
(8S,9R,10S,11S,13S,14S)-9-fluoro-11-hydroxy-10,13-dimethyl-17,17-bis(methylsulfanyl)-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one
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Synonyms:
ANDROSTA-1,4-DIEN-3-ONE, 17,17-BIS(METHYLTHIO)-9-FLUORO-11-HYDROXY-, (11-beta)-;68159-85-3;SQ 14,150;(11-beta)-17,17-Bis(methylthio)-9-fluoro-11-hydroxyandrosta-1,4-dien-3-one;(10-beta,13-beta)-17,17-Bis(methylthio)-9-alpha-fluoro-11-beta-hydroxyandrosta-1,4-dien-3-one;SCHEMBL9569095;DTXSID10218336;(8S,9R,10S,11S,13S,14S)-9-fluoro-11-hydroxy-10,13-dimethyl-17,17-bis(methylsulfanyl)-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one;9-fluoro-11beta-hydroxy-17,17-bis(methylthio)androsta-1,4-diene-3-one;9-fluoro-11beta-hydroxy-17,17-bis-(methylthio)androsta-1,4-diene-3-one
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CAS No:
(8S,9R,10S,11S,13S,14S)-9-fluoro-11-hydroxy-10,13-dimethyl-17,17-bis(methylsulfanyl)-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one Basic Attributes
396.6 g/mol
396.15930067 g/mol
DTXSID10218336
Computed Properties
Molecular Weight:396.6
XLogP3:4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:396.15930067
Monoisotopic Mass:396.15930067
Topological Polar Surface Area:87.9
Heavy Atom Count:26
Complexity:700
Defined Atom Stereocenter Count:6
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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