Pregna-4,16-Diene-3,20-Dione

Molecule SVG Image

Properties Simple | Detailed

Formula C21H28O2
IUPAC Name (8r,9s,10r,13s,14s)-17-acetyl-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthren-3-one
Molecular Mass 312.446 g·mol−1
Heat of Formation -368.7 ± 16.7 kJ·mol−1
Dipole Moment 4.46 ± 1.08 D
Volume 400.11 Å 3
Surface Area 320.88 Å 2
HOMO Energy -9.77 ± 0.55 eV
LUMO Energy -0.09 ± eV
Point Group Symmetry C1
Synonyms
  • (8r,9s,10r,13s,14s)-17-acetyl-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthren-3-one
  • (8r,9s,10r,13s,14s)-17-ethanoyl-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthren-3-one
  • .delta.16-progesterone
  • .delta.4,16-pregnadiene-3,20-dione
  • 16,17-didehydroprogesterone
  • 16-dehydroprogesterone
  • 3,20-dioxopregna-4,16-diene
  • 4,16-pregnadiene-3,20-dione
  • delta(4,16)-pregnadiene-3,20-dione
  • delta4,16-pregnadiene-3,20-dione
CAS Number(s)
  • 1096-38-4
InChIKey VRRHHTISESGZFN-RKFFNLMFSA-N
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