16-Methylene-17α-Acetoxyprogesterone

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Properties Simple | Detailed

Formula C24H32O4
IUPAC Name [(8r,9s,10r,13s,14s,17r)-17-acetyl-10,13-dimethyl-16-methylene-3-oxo-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthren-17-yl] acetate
Molecular Mass 384.508 g·mol−1
Heat of Formation -766.2 ± 16.7 kJ·mol−1
Dipole Moment 1.95 ± 1.08 D
Volume 479.79 Å 3
Surface Area 370.49 Å 2
HOMO Energy -9.82 ± 0.55 eV
LUMO Energy -0.04 ± eV
Point Group Symmetry C1
Synonyms
  • [(8r,9s,10r,13s,14s,17r)-17-acetyl-10,13-dimethyl-16-methylene-3-oxo-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthren-17-yl] acetate
  • [(8r,9s,10r,13s,14s,17r)-17-acetyl-10,13-dimethyl-16-methylidene-3-oxo-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthren-17-yl] acetate
  • [(8r,9s,10r,13s,14s,17r)-17-ethanoyl-10,13-dimethyl-16-methylidene-3-oxo-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthren-17-yl] ethanoate
  • acetic acid [(8r,9s,10r,13s,14s,17r)-17-acetyl-10,13-dimethyl-16-methylene-3-oxo-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthren-17-yl] ester
  • acetic acid [(8r,9s,10r,13s,14s,17r)-17-acetyl-3-keto-10,13-dimethyl-16-methylene-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthren-17-yl] ester
  • pregn-4-ene-3,20-dione, 17-(acetyloxy)-16-methylene-
CAS Number(s)
  • 6815-51-6
InChIKey XSNMCQGNVPSIQM-CKOZHMEPSA-N
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