6-Chloro-17-Acetoxy-16A-Methylpregna-4,6-Diene-3,20-Dione

Molecule SVG Image

Properties Simple | Detailed

Formula C24H31ClO4
IUPAC Name [(8r,9s,10r,13s,14s,16r,17r)-17-acetyl-6-chloro-10,13,16-trimethyl-3-oxo-2,8,9,11,12,14,15,16-octahydro-1h-cyclopenta[a]phenanthren-17-yl] acetate
Molecular Mass 418.954 g·mol−1
Heat of Formation -808.8 ± 16.7 kJ·mol−1
Dipole Moment 3.96 ± 1.08 D
Volume 497.44 Å 3
Surface Area 382.28 Å 2
HOMO Energy -9.64 ± 0.55 eV
LUMO Energy -0.89 ± eV
Point Group Symmetry C1
Synonyms
  • [(8r,9s,10r,13s,14s,16r,17r)-17-acetyl-6-chloro-10,13,16-trimethyl-3-oxo-2,8,9,11,12,14,15,16-octahydro-1h-cyclopenta[a]phenanthren-17-yl] acetate
  • [(8r,9s,10r,13s,14s,16r,17r)-6-chloro-17-ethanoyl-10,13,16-trimethyl-3-oxo-2,8,9,11,12,14,15,16-octahydro-1h-cyclopenta[a]phenanthren-17-yl] ethanoate
  • acetic acid [(8r,9s,10r,13s,14s,16r,17r)-17-acetyl-6-chloro-10,13,16-trimethyl-3-oxo-2,8,9,11,12,14,15,16-octahydro-1h-cyclopenta[a]phenanthren-17-yl] ester
  • acetic acid [(8r,9s,10r,13s,14s,16r,17r)-17-acetyl-6-chloro-3-keto-10,13,16-trimethyl-2,8,9,11,12,14,15,16-octahydro-1h-cyclopenta[a]phenanthren-17-yl] ester
  • clomegestone acetate (usan)
  • d03550
InChIKey WWSKHPDYSWDMNC-YRNSVOBJSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O Cl