S-Methyl 9-Fluoro-11B,17-Dihydroxy-16B-Methyl-3-Oxoandrosta-1,4-Diene-17B-Carbothioate 17-Acetate

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Formula C24H31FO5S
IUPAC Name [(8s,9r,10s,11s,13s,14s,16s,17r)-9-fluoro-11-hydroxy-10,13,16-trimethyl-17-methylsulfanylcarbonyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] acetate
Molecular Mass 450.563 g·mol−1
Heat of Formation -1099.3 ± 16.7 kJ·mol−1
Dipole Moment 5.32 ± 1.08 D
Volume 519.5 Å 3
Surface Area 391.04 Å 2
HOMO Energy -9.28 ± 0.55 eV
LUMO Energy -0.58 ± eV
Point Group Symmetry C1
Synonyms
  • [(8s,9r,10s,11s,13s,14s,16s,17r)-9-fluoro-11-hydroxy-10,13,16-trimethyl-17-methylsulfanylcarbonyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] acetate
  • [(8s,9r,10s,11s,13s,14s,16s,17r)-9-fluoro-11-hydroxy-10,13,16-trimethyl-17-methylsulfanylcarbonyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] ethanoate
  • acetic acid [(8s,9r,10s,11s,13s,14s,16s,17r)-9-fluoro-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
  • acetic acid [(8s,9r,10s,11s,13s,14s,16s,17r)-9-fluoro-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
  • d06152
  • timobesone acetate (usan)
InChIKey NWJQIUPQBDVVLW-QZIXMDIESA-N
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