3B-Hydroxy-5B-Pregnan-20-One

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Properties Simple | Detailed

Formula C21H34O2
IUPAC Name 1-[(3s,5r,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 -622.0 ± 16.7 kJ·mol−1
Dipole Moment 1.47 ± 1.08 D
Volume 419.45 Å 3
Surface Area 324.47 Å 2
HOMO Energy -9.91 ± 0.55 eV
LUMO Energy 0.99 ± eV
Point Group Symmetry C1
Synonyms
  • (3beta,5beta)-3-hydroxypregnan-20-one
  • 1-[(3s,5r,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.-hydroxy-5.beta.-tetrahydroprogesterone
  • 3beta-hydroxy-5beta-pregnan-20-one
  • 3beta-hydroxy-5beta-pregnane-20-one
  • 5.beta.-pregnan-20-one, 3.beta.-hydroxy-
  • 5.beta.-pregnanolone
  • pregnan-20-one, 3-hydroxy-, (3.beta.,5.beta.)-
  • pregnan-3.beta.-ol-20-one
  • pregnanolone i
CAS Number(s)
  • 128-21-2
InChIKey AURFZBICLPNKBZ-GRWISUQFSA-N
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