16-Methylene-3,20-Dioxo-19-Norpregn-4-En-17-Yl Acetate

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Properties Simple | Detailed

Formula C23H30O4
IUPAC Name [(8r,9s,10r,13s,14s,17r)-17-acetyl-13-methyl-16-methylene-3-oxo-2,6,7,8,9,10,11,12,14,15-decahydro-1h-cyclopenta[a]phenanthren-17-yl] acetate
Molecular Mass 370.482 g·mol−1
Heat of Formation -745.8 ± 16.7 kJ·mol−1
Dipole Moment 2.18 ± 1.08 D
Volume 460.36 Å 3
Surface Area 363.26 Å 2
HOMO Energy -9.84 ± 0.55 eV
LUMO Energy -0.05 ± eV
Point Group Symmetry C1
Synonyms
  • 16-methylene-17-alpha-acetoxy-19-nor-4-pregnene-3,20-dione
  • 17-hydroxy-16-methylene-19-norpregn-4-ene-3,20-dione acetate
  • 19-norpregn-4-ene-3,20-dione, 17-(acetyloxy)-16-methylene- (9ci)
  • 19-norpregn-4-ene-3,20-dione, 17-hydroxy-16-methylene-, acetate
  • [(8r,9s,10r,13s,14s,17r)-17-acetyl-13-methyl-16-methylene-3-oxo-2,6,7,8,9,10,11,12,14,15-decahydro-1h-cyclopenta[a]phenanthren-17-yl] acetate
  • [(8r,9s,10r,13s,14s,17r)-17-acetyl-13-methyl-16-methylidene-3-oxo-2,6,7,8,9,10,11,12,14,15-decahydro-1h-cyclopenta[a]phenanthren-17-yl] acetate
  • [(8r,9s,10r,13s,14s,17r)-17-ethanoyl-13-methyl-16-methylidene-3-oxo-2,6,7,8,9,10,11,12,14,15-decahydro-1h-cyclopenta[a]phenanthren-17-yl] ethanoate
  • acetic acid [(8r,9s,10r,13s,14s,17r)-17-acetyl-3-keto-13-methyl-16-methylene-2,6,7,8,9,10,11,12,14,15-decahydro-1h-cyclopenta[a]phenanthren-17-yl] ester
  • nestorone
CAS Number(s)
  • 7759-35-5
InChIKey CKFBRGLGTWAVLG-GOMYTPFNSA-N
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