17-(Acetyloxy)-11B-Methyl-19-Norpregn-4-Ene-3,20-Dione

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Properties Simple | Detailed

Formula C23H32O4
IUPAC Name [(8r,9s,10r,11s,13s,14s,17r)-17-acetyl-11,13-dimethyl-3-oxo-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] acetate
Molecular Mass 372.498 g·mol−1
Heat of Formation -836.6 ± 16.7 kJ·mol−1
Dipole Moment 4.01 ± 1.08 D
Volume 465.95 Å 3
Surface Area 361.25 Å 2
HOMO Energy -9.77 ± 0.55 eV
LUMO Energy 0.02 ± eV
Point Group Symmetry C1
Synonyms
  • [(8r,9s,10r,11s,13s,14s,17r)-17-acetyl-11,13-dimethyl-3-oxo-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] acetate
  • [(8r,9s,10r,11s,13s,14s,17r)-17-ethanoyl-11,13-dimethyl-3-oxo-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] ethanoate
  • acetic acid [(8r,9s,10r,11s,13s,14s,17r)-17-acetyl-11,13-dimethyl-3-oxo-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] ester
  • acetic acid [(8r,9s,10r,11s,13s,14s,17r)-17-acetyl-3-keto-11,13-dimethyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] ester
  • d05210
  • norgestomet (usan)
InChIKey IWSXBCZCPVUWHT-VIFKTUCRSA-N
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