Pregna-1,4-Diene-3,20-Dione

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Properties Simple | Detailed

Formula C21H28O2
IUPAC Name (8s,9s,10r,13s,14s,17s)-17-acetyl-10,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one
Molecular Mass 312.446 g·mol−1
Heat of Formation -376.2 ± 16.7 kJ·mol−1
Dipole Moment 3.14 ± 1.08 D
Volume 401.99 Å 3
Surface Area 319.87 Å 2
HOMO Energy -9.83 ± 0.55 eV
LUMO Energy -0.44 ± eV
Point Group Symmetry C1
Synonyms
  • (8s,9s,10r,13s,14s,17s)-17-acetyl-10,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one
  • (8s,9s,10r,13s,14s,17s)-17-ethanoyl-10,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one
  • .delta.1-progesterone
  • 1,2-dehydroprogesterone
  • 1,2-didehydroprogesterone
  • 1-dehydroprogesterone
  • delta(1)-progesterone
  • delta1-progesterone
  • pregna-1,4-diene-3,20-dione (8ci)(9ci)
CAS Number(s)
  • 1162-54-5
InChIKey QIEPWCSVQYUPIY-LEKSSAKUSA-N
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