(3α,5Beta,20S)-3,20-Dihydroxypregnan-11-One

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Formula C21H34O3
IUPAC Name (3r,5r,8s,9s,10s,13s,14s,17s)-3-hydroxy-17-[(1s)-1-hydroxyethyl]-10,13-dimethyl-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-11-one
Molecular Mass 334.493 g·mol−1
Heat of Formation -799.7 ± 16.7 kJ·mol−1
Dipole Moment 0.94 ± 1.08 D
Volume 432.79 Å 3
Surface Area 333.06 Å 2
HOMO Energy -9.65 ± 0.55 eV
LUMO Energy 0.95 ± eV
Point Group Symmetry C1
Synonyms
  • (3r,5r,8s,9s,10s,13s,14s,17s)-3-hydroxy-17-(1-hydroxyethyl)-10,13-dimethyl-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-11-one
  • 11-keto-pregnanediol
  • 3alpha,20-alpha-dihydroxy-5beta-pregnan-11-one
  • pregnan-11-one, 3,20-dihydroxy-, (3alpha,5beta,20s)-
CAS Number(s)
  • 6815-48-1
InChIKey OFWWSHNAQHDEIN-GKBUJGRRSA-N
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