(9β,10Alpha)-6-Fluoro-16-Methylene-3,20-Dioxopregna-4,6-Dien-17-Yl Acetate

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Properties Simple | Detailed

Formula C24H29FO4
IUPAC Name [(8r,9r,10s,13s,14s,17r)-17-acetyl-6-fluoro-10,13-dimethyl-16-methylene-3-oxo-1,2,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-17-yl] acetate
Molecular Mass 400.483 g·mol−1
Heat of Formation -842.8 ± 16.7 kJ·mol−1
Dipole Moment 3.75 ± 1.08 D
Volume 477.64 Å 3
Surface Area 362.95 Å 2
HOMO Energy -9.70 ± 0.55 eV
LUMO Energy -0.87 ± eV
Point Group Symmetry C1
Synonyms
  • 6-fluoro-17-hydroxy-15-methylene-9beta,10alpha-pregna-4,6-diene-3,20-dione acetate
  • [(8r,9r,10s,13s,14s,17r)-17-acetyl-6-fluoro-10,13-dimethyl-16-methylene-3-oxo-1,2,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-17-yl] acetate
  • [(8r,9r,10s,13s,14s,17r)-17-acetyl-6-fluoro-10,13-dimethyl-16-methylidene-3-oxo-1,2,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-17-yl] acetate
  • [(8r,9r,10s,13s,14s,17r)-17-ethanoyl-6-fluoro-10,13-dimethyl-16-methylidene-3-oxo-1,2,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-17-yl] ethanoate
  • acetic acid [(8r,9r,10s,13s,14s,17r)-17-acetyl-6-fluoro-10,13-dimethyl-16-methylene-3-oxo-1,2,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-17-yl] ester
  • acetic acid [(8r,9r,10s,13s,14s,17r)-17-acetyl-6-fluoro-3-keto-10,13-dimethyl-16-methylene-1,2,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-17-yl] ester
  • du 41165
  • du-41165
CAS Number(s)
  • 34184-58-2
InChIKey XSSIGSNQDKHHLD-JBARXXBASA-N
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