5B-Pregnane-3,20-Dione

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Properties Simple | Detailed

Formula C21H32O2
IUPAC Name (5r,8r,9s,10s,13s,14s,17s)-17-acetyl-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one
Molecular Mass 316.478 g·mol−1
Heat of Formation -571.6 ± 16.7 kJ·mol−1
Dipole Moment 1.58 ± 1.08 D
Volume 412.76 Å 3
Surface Area 321.44 Å 2
HOMO Energy -9.89 ± 0.55 eV
LUMO Energy 3.93 ± eV
Point Group Symmetry C1
Synonyms
  • (5beta)-pregnane-3,20-dione
  • (5r,8r,9s,10s,13s,14s,17s)-17-acetyl-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one
  • (5r,8r,9s,10s,13s,14s,17s)-17-ethanoyl-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one
  • 3,20-pregnanedione
  • 5.beta.-dihydroprogesterone
  • 5.beta.-pregnan-3,20-dione
  • 5beta-dihydroprogesterone
  • 5beta-pregnan-3,20-dione
  • 5beta-pregnane-3,20-dione (8ci)
  • ci2
  • pregnane-3,20-dione, (5beta)- (9ci)
CAS Number(s)
  • 128-23-4
InChIKey XMRPGKVKISIQBV-XWOJZHJZSA-N
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