3.β.-Acetoxypregna-5,16-Dien-20-One

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Properties Simple | Detailed

Formula C23H32O3
IUPAC Name [(3s,8r,9s,10r,13s,14s)-17-acetyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1h-cyclopenta[a]phenanthren-3-yl] acetate
Molecular Mass 356.498 g·mol−1
Heat of Formation -615.8 ± 16.7 kJ·mol−1
Dipole Moment 1.08 ± 1.08 D
Volume 456.85 Å 3
Surface Area 371.49 Å 2
HOMO Energy -9.30 ± 0.55 eV
LUMO Energy 0.02 ± eV
Point Group Symmetry C1
Synonyms
  • (3-beta)-3-(acetyloxy)pregna-5,16-dien-20-one
  • 16,17-didehydropregnenolone acetate
  • 16-dehydropregnenolone acetate
  • 20-oxopregna-5,16-dien-3-beta-yl acetate
  • 20-oxopregna-5,16-dien-3.beta.-yl acetate
  • 20-oxopregna-5,16-dien-3beta-yl acetate
  • 3beta-acetoxypregna-5,16-dien-20-one
  • 3beta-acetyloxy-pregna-5,16-dien-20-one
  • [(3s,8r,9s,10r,13s,14s)-17-acetyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1h-cyclopenta[a]phenanthren-3-yl] acetate
  • [(3s,8r,9s,10r,13s,14s)-17-ethanoyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1h-cyclopenta[a]phenanthren-3-yl] ethanoate
  • acetic acid [(3s,8r,9s,10r,13s,14s)-17-acetyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1h-cyclopenta[a]phenanthren-3-yl] ester
  • dehydropregnenolone acetate
  • ks-1008
  • pregna-5,16-dien-20-one, 3-(acetyloxy)-, (3-beta)-
  • pregna-5,16-dien-20-one, 3-(acetyloxy)-, (3.beta.)-
  • pregna-5,16-dien-20-one, 3-(acetyloxy)-, (3beta)- (9ci)
  • pregna-5,16-dien-20-one, 3-beta-hydroxy-, acetate
  • pregna-5,16-dien-20-one, 3.beta.-hydroxy-, acetate
  • pregna-5,16-dien-20-one, 3beta-hydroxy-, acetate (8ci)
CAS Number(s)
  • 979-02-2
InChIKey MZWRIOUCMXPLKV-RFOVXIPZSA-N
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