17-Acetoxy-6-Methyl-19-Norpregna-4,6-Diene-3,20-Dione

Molecule SVG Image

Properties Simple | Detailed

Formula C23H30O4
IUPAC Name [(8s,9s,10r,13s,14s,17r)-17-acetyl-6,13-dimethyl-3-oxo-1,2,8,9,10,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl] acetate
Molecular Mass 370.482 g·mol−1
Heat of Formation -769.4 ± 16.7 kJ·mol−1
Dipole Moment 3.12 ± 1.08 D
Volume 460.89 Å 3
Surface Area 366.29 Å 2
HOMO Energy -9.37 ± 0.55 eV
LUMO Energy -0.56 ± eV
Point Group Symmetry C1
Synonyms
  • 17-alpha-acetoxy-6-methyl-19-nor-4,6-pregnadiene-3,20-dione
  • 17-alpha-hydroxy-6-methyl-19-norpregna-4,6-diene-3,20-dione acetate
  • 17-hydroxy-6-methyl-19-norpregna-4,6-diene-3,20-dione 17-acetate
  • 19-norpregna-4,6-diene-3,20-dione, 17-(acetyloxy)-6-methyl-
  • 19-norpregna-4,6-diene-3,20-dione, 17-alpha-hydroxy-6-methyl-, acetate
  • [(8s,9s,10r,13s,14s,17r)-17-acetyl-6,13-dimethyl-3-oxo-1,2,8,9,10,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl] acetate
  • [(8s,9s,10r,13s,14s,17r)-17-ethanoyl-6,13-dimethyl-3-oxo-1,2,8,9,10,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl] ethanoate
  • acetic acid [(8s,9s,10r,13s,14s,17r)-17-acetyl-3-keto-6,13-dimethyl-1,2,8,9,10,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl] ester
  • acetic acid [(8s,9s,10r,13s,14s,17r)-17-acetyl-6,13-dimethyl-3-oxo-1,2,8,9,10,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl] ester
  • bpbio1_001370
  • lutenyl
  • nomegestrol acetate
  • tx 066
  • tx-066
  • uniplant
CAS Number(s)
  • 58652-20-3
InChIKey IIVBFTNIGYRNQY-YQLZSBIMSA-N
QR Code Generate QR Code
Links PubChem Wikipedia ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O