(3β,5Alpha,17Alpha)-3-Hydroxypregnan-20-One

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Formula C21H34O2
IUPAC Name 1-[(3s,5s,8r,9s,10s,13s,14s,17r)-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 -622.1 ± 16.7 kJ·mol−1
Dipole Moment 4.60 ± 1.08 D
Volume 421.15 Å 3
Surface Area 329.93 Å 2
HOMO Energy -9.90 ± 0.55 eV
LUMO Energy 0.95 ± eV
Point Group Symmetry C1
Synonyms
  • 1-[(3s,5s,8r,9s,10s,13s,14s,17r)-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-hydroxypregnan-20-one
  • 5-beta-pregnan,3-alpha-ol,20-one
  • pregnan-20-one, 3-hydroxy-
InChIKey AURFZBICLPNKBZ-UAMJIQGISA-N
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