(11B,17A)-17-(Ethylthio)-9-Fluoro-11-Hydroxy-17-(Methylthio)Androsta-1,4-Dien-3-One

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Formula C22H31FO2S2
IUPAC Name (8s,9r,10s,11s,13s,14s,17r)-17-ethylsulfanyl-9-fluoro-11-hydroxy-10,13-dimethyl-17-methylsulfanyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one
Molecular Mass 410.609 g·mol−1
Heat of Formation -556.2 ± 16.7 kJ·mol−1
Dipole Moment 7.16 ± 1.08 D
Volume 486.45 Å 3
Surface Area 366.5 Å 2
HOMO Energy -8.54 ± 0.55 eV
LUMO Energy -0.30 ± eV
Point Group Symmetry C1
Synonyms
  • (8s,9r,10s,11s,13s,14s,17r)-17-(ethylthio)-9-fluoro-11-hydroxy-10,13-dimethyl-17-(methylthio)-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one
  • (8s,9r,10s,11s,13s,14s,17r)-17-ethylsulfanyl-9-fluoro-11-hydroxy-10,13-dimethyl-17-methylsulfanyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one
  • d06161
  • sq-27239
  • tipredane
  • tipredane (usan)
InChIKey DXEXNWDGDYUITL-FXSSSKFRSA-N
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