6β-Acetoxyprogesterone

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Properties Simple | Detailed

Formula C23H32O4
IUPAC Name [(6r,8s,9s,10r,13s,14s,17s)-17-acetyl-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-6-yl] acetate
Molecular Mass 372.498 g·mol−1
Heat of Formation -848.8 ± 16.7 kJ·mol−1
Dipole Moment 3.99 ± 1.08 D
Volume 468.14 Å 3
Surface Area 362.36 Å 2
HOMO Energy -9.96 ± 0.55 eV
LUMO Energy -0.39 ± eV
Point Group Symmetry C1
Synonyms
  • [(6r,8s,9s,10r,13s,14s,17s)-17-acetyl-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-6-yl] acetate
  • [(6r,8s,9s,10r,13s,14s,17s)-17-ethanoyl-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-6-yl] ethanoate
  • acetic acid [(6r,8s,9s,10r,13s,14s,17s)-17-acetyl-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-6-yl] ester
  • acetic acid [(6r,8s,9s,10r,13s,14s,17s)-17-acetyl-3-keto-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-6-yl] ester
  • pregn-4-ene-3,20-dione, 6-(acetyloxy)-, (6beta)-
CAS Number(s)
  • 1675-95-2
InChIKey SUCNAJORKZIPDF-MCQQAARZSA-N
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