(6β,11β)-9-Fluoro-6,11-Dihydroxy-17-(Methylsulfonyl)Androsta-1,4,16-Trien-3-One

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Formula C20H25FO5S
IUPAC Name (6r,8s,9r,10s,11s,13s,14s)-9-fluoro-6,11-dihydroxy-10,13-dimethyl-17-methylsulfonyl-7,8,11,12,14,15-hexahydro-6h-cyclopenta[a]phenanthren-3-one
Molecular Mass 396.473 g·mol−1
Heat of Formation -966.3 ± 16.7 kJ·mol−1
Dipole Moment 3.22 ± 1.08 D
Volume 440.38 Å 3
Surface Area 338.78 Å 2
HOMO Energy -9.97 ± 0.55 eV
LUMO Energy -0.68 ± eV
Point Group Symmetry C1
Synonyms
  • (6r,8s,9r,10s,11s,13s,14s)-9-fluoro-6,11-dihydroxy-10,13-dimethyl-17-methylsulfonyl-7,8,11,12,14,15-hexahydro-6h-cyclopenta[a]phenanthren-3-one
  • (6r,8s,9r,10s,11s,13s,14s)-9-fluoro-6,11-dihydroxy-17-mesyl-10,13-dimethyl-7,8,11,12,14,15-hexahydro-6h-cyclopenta[a]phenanthren-3-one
InChIKey JLUKDLNTLCMRHG-BVBLFJQYSA-N
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