3,20-Dioxopregn-4-En-17-Yl 10-Chloro-9-Oxodecanoate

Molecule SVG Image

Properties Simple | Detailed

Formula C31H45ClO5
IUPAC Name [(8r,9s,10r,13s,14s,17r)-17-acetyl-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthren-17-yl] 10-chloro-9-oxo-decanoate
Molecular Mass 533.139 g·mol−1
Heat of Formation -1157.4 ± 16.7 kJ·mol−1
Dipole Moment 3.45 ± 1.08 D
Volume 671.76 Å 3
Surface Area 540.59 Å 2
HOMO Energy -9.84 ± 0.55 eV
LUMO Energy 2.96 ± eV
Point Group Symmetry C1
Synonyms
  • 10-chloro-9-keto-capric acid [(8r,9s,10r,13s,14s,17r)-17-acetyl-3-keto-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthren-17-yl] ester
  • 10-chloro-9-oxodecanoic acid [(8r,9s,10r,13s,14s,17r)-17-acetyl-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthren-17-yl] ester
  • 17-hydroxyprogesterone 17-(9-oxo-10-chlorodecanoate)
  • [(8r,9s,10r,13s,14s,17r)-17-acetyl-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthren-17-yl] 10-chloro-9-oxo-decanoate
  • [(8r,9s,10r,13s,14s,17r)-17-acetyl-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthren-17-yl] 10-chloro-9-oxodecanoate
  • [(8r,9s,10r,13s,14s,17r)-17-ethanoyl-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthren-17-yl] 10-chloro-9-oxo-decanoate
  • pregn-4-ene-3,20-dione, 17-((10-chloro-1,9-dioxodecyl)oxy)-
CAS Number(s)
  • 40946-49-4
InChIKey FFEADGGZSFGOEB-BWYFLFFXSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O Cl