17-Acetoxy-6-Methylene-4-Pregnene-3,20-Dione

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Properties Simple | Detailed

Formula C24H32O4
IUPAC Name [(8r,9s,10r,13s,14s,17r)-17-acetyl-10,13-dimethyl-6-methylene-3-oxo-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl] acetate
Molecular Mass 384.508 g·mol−1
Heat of Formation -776.0 ± 16.7 kJ·mol−1
Dipole Moment 2.52 ± 1.08 D
Volume 481.81 Å 3
Surface Area 371.48 Å 2
HOMO Energy -9.85 ± 0.55 eV
LUMO Energy 2.64 ± eV
Point Group Symmetry C1
Synonyms
  • 17-hydroxy-6-methylenepregn-4-ene-3,20-dione 17-acetate
  • [(8r,9s,10r,13s,14s,17r)-17-acetyl-10,13-dimethyl-6-methylene-3-oxo-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl] acetate
  • [(8r,9s,10r,13s,14s,17r)-17-ethanoyl-10,13-dimethyl-6-methylidene-3-oxo-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl] ethanoate
  • acetic acid [(8r,9s,10r,13s,14s,17r)-17-acetyl-10,13-dimethyl-6-methylene-3-oxo-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl] ester
  • acetic acid [(8r,9s,10r,13s,14s,17r)-17-acetyl-3-keto-10,13-dimethyl-6-methylene-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl] ester
InChIKey YCDZXIYKJHQMIG-GQFGMJRRSA-N
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