6,16-Bis(Methylene)-3,20-Dioxopregn-4-En-17-Yl Acetate

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Properties Simple | Detailed

Formula C25H32O4
IUPAC Name [(8r,9s,10r,13s,14s,17r)-17-acetyl-10,13-dimethyl-6,16-dimethylene-3-oxo-2,7,8,9,11,12,14,15-octahydro-1h-cyclopenta[a]phenanthren-17-yl] acetate
Molecular Mass 396.519 g·mol−1
Heat of Formation -683.5 ± 16.7 kJ·mol−1
Dipole Moment 2.02 ± 1.08 D
Volume 495.71 Å 3
Surface Area 381.03 Å 2
HOMO Energy -9.89 ± 0.55 eV
LUMO Energy -0.24 ± eV
Point Group Symmetry C1
Synonyms
  • 17-(acetyloxy)-6,16-bis(methylene)pregn-4-ene-3,20-dione
  • 17-acetoxy-6,16-dimethylene-4-pregnene-3,20-dione
  • 17-adpd
  • [(8r,9s,10r,13s,14s,17r)-17-acetyl-10,13-dimethyl-6,16-dimethylene-3-oxo-2,7,8,9,11,12,14,15-octahydro-1h-cyclopenta[a]phenanthren-17-yl] acetate
  • [(8r,9s,10r,13s,14s,17r)-17-acetyl-10,13-dimethyl-6,16-dimethylidene-3-oxo-2,7,8,9,11,12,14,15-octahydro-1h-cyclopenta[a]phenanthren-17-yl] acetate
  • [(8r,9s,10r,13s,14s,17r)-17-ethanoyl-10,13-dimethyl-6,16-dimethylidene-3-oxo-2,7,8,9,11,12,14,15-octahydro-1h-cyclopenta[a]phenanthren-17-yl] ethanoate
  • acetic acid [(8r,9s,10r,13s,14s,17r)-17-acetyl-10,13-dimethyl-6,16-dimethylene-3-oxo-2,7,8,9,11,12,14,15-octahydro-1h-cyclopenta[a]phenanthren-17-yl] ester
  • acetic acid [(8r,9s,10r,13s,14s,17r)-17-acetyl-3-keto-10,13-dimethyl-6,16-dimethylene-2,7,8,9,11,12,14,15-octahydro-1h-cyclopenta[a]phenanthren-17-yl] ester
  • pregn-4-ene-3,20-dione, 17-(acetyloxy)-6,16-bis(methylene)-
CAS Number(s)
  • 80097-73-0
InChIKey WJFDQNDYQVFWKP-DWNQPYOZSA-N
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