(6α,11Beta,16α,17α)-6,9-Difluoro-11-Hydroxy-16-Methyl-17-[(Methylsulfanyl)Carbonyl]-3-Oxoandrosta-1,4-Dien-17-Yl Propionate

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Formula C25H32F2O5S
IUPAC Name [(6s,8s,9r,10s,11s,13s,14s,16s,17r)-6,9-difluoro-11-hydroxy-10,13,16-trimethyl-17-methylsulfanylcarbonyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] propanoate
Molecular Mass 482.580 g·mol−1
Heat of Formation -1293.7 ± 16.7 kJ·mol−1
Dipole Moment 6.99 ± 1.08 D
Volume 548.21 Å 3
Surface Area 414.1 Å 2
HOMO Energy -9.36 ± 0.55 eV
LUMO Energy -0.65 ± eV
Point Group Symmetry C1
Synonyms
  • [(6s,8s,9r,10s,11s,13s,14s,16s,17r)-6,9-difluoro-11-hydroxy-10,13,16-trimethyl-17-methylsulfanylcarbonyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] propanoate
  • propanoic acid [(6s,8s,9r,10s,11s,13s,14s,16s,17r)-6,9-difluoro-11-hydroxy-10,13,16-trimethyl-17-[(methylthio)-oxomethyl]-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] ester
  • propionic acid [(6s,8s,9r,10s,11s,13s,14s,16s,17r)-6,9-difluoro-11-hydroxy-3-keto-10,13,16-trimethyl-17-(methylthio)carbonyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] ester
InChIKey DRXCUKXWTNOXTD-LICBFIPMSA-N
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