(5α,20S)-20-Hydroxypregnan-3-One

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Properties Simple | Detailed

Formula C21H34O2
IUPAC Name (5s,8r,9s,10s,13s,14s,17s)-17-[(1s)-1-hydroxyethyl]-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one
Molecular Mass 318.493 g·mol−1
Heat of Formation -606.3 ± 16.7 kJ·mol−1
Dipole Moment 2.20 ± 1.08 D
Volume 421.63 Å 3
Surface Area 329.36 Å 2
HOMO Energy -9.88 ± 0.55 eV
LUMO Energy 1.00 ± eV
Point Group Symmetry C1
Synonyms
  • 20-ahapo
  • 20alpha-hydroxy-5alpha-pregnan-3-one
  • 20beta-hydroxy-5alpha-pregnan-3-one
  • allopregnan-20alpha-ol-3-one
  • allopregnan-20beta-ol-3-one
  • pregnan-3-one, 20-hydroxy-, (5alpha,20s)-
CAS Number(s)
  • 516-59-6
InChIKey DYVGYXXLXQESJE-SKLBOBKVSA-N
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