(3β,11β)-17-Acetoxy-6,11-Dichloro-20-Oxo-19-Norpregna-4,6-Dien-3-Yl Benzoate

Molecule SVG Image

Properties Simple | Detailed

Formula C26H20Cl2O5
IUPAC Name [(3s,8s,9s,10r,11s,13s,14s,17r)-17-acetyl-17-acetyloxy-6,11-dichloro-13-methyl-2,3,8,9,10,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthren-3-yl] benzoate
Molecular Mass 483.340 g·mol−1
Heat of Formation -926.9 ± 16.7 kJ·mol−1
Dipole Moment 4.83 ± 1.08 D
Volume 605.64 Å 3
Surface Area 479.75 Å 2
HOMO Energy -9.34 ± 0.55 eV
LUMO Energy 2.39 ± eV
Point Group Symmetry C1
Synonyms
  • 6,11beta-dichloro-3beta,17-dihydroxy-19-nor-4,6-pregnadien-20-one-17-acetate-3beta-benzoate
  • [(3s,8s,9s,10r,11s,13s,14s,17r)-17-acetoxy-17-acetyl-6,11-dichloro-13-methyl-2,3,8,9,10,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthren-3-yl] benzoate
  • [(3s,8s,9s,10r,11s,13s,14s,17r)-17-acetyloxy-6,11-dichloro-17-ethanoyl-13-methyl-2,3,8,9,10,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthren-3-yl] benzoate
  • benzoic acid [(3s,8s,9s,10r,11s,13s,14s,17r)-17-acetoxy-17-acetyl-6,11-dichloro-13-methyl-2,3,8,9,10,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthren-3-yl] ester
  • gr 2-2132
  • gr-2-2132
CAS Number(s)
  • 52468-90-3
InChIKey JLGNNVWKFNQMNA-FGMKGTMLSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O Cl