Isopregnanolone

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Properties Simple | Detailed

Formula C21H34O2
IUPAC Name 1-[(3s,5s,8r,9s,10s,13s,14s,17s)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-17-yl]ethanone
Molecular Mass 318.493 g·mol−1
Heat of Formation -616.0 ± 16.7 kJ·mol−1
Dipole Moment 3.69 ± 1.08 D
Volume 421.13 Å 3
Surface Area 329.91 Å 2
HOMO Energy -9.91 ± 0.55 eV
LUMO Energy 1.00 ± eV
Point Group Symmetry C1
Synonyms
  • (3beta,5alpha)-3-hydroxypregnan-20-one
  • 1-[(3s,5s,8r,9s,10s,13s,14s,17s)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-17-yl]ethanone
  • 3-beta-allopregnanolone
  • 3-beta-hydroxy-5-alpha-pregnan-20-one
  • 3beta-hydroxy-5alpha-pregnan-20-one
  • 3beta-hydroxy-5alpha-pregnane-20-one
  • 3beta-hydroxy-5alpha-tetrahydroprogesterone
  • 5-alpha-dihydropregnenolone
  • 5-alpha-pregnan-20-one, 3-beta-hydroxy-
  • 5alpha-pregnan-20-one, 3beta-hydroxy- (8ci)
  • 5alpha-pregnan-3beta-ol-20-one
  • pregnan-20-one, 3-hydroxy-, (3-beta,5-alpha)- (9ci)
  • pregnan-20-one, 3-hydroxy-, (3beta,5alpha)- (9ci)
  • u 0949
CAS Number(s)
  • 516-55-2
InChIKey AURFZBICLPNKBZ-FZCSVUEKSA-N
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