(3α,5Beta)-3,17-Dihydroxypregnan-20-One

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Properties Simple | Detailed

Formula C21H34O3
IUPAC Name 1-[(3r,5r,8r,9s,10s,13s,14s,17r)-3,17-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-yl]ethanone
Molecular Mass 334.493 g·mol−1
Heat of Formation -799.1 ± 16.7 kJ·mol−1
Dipole Moment 3.19 ± 1.08 D
Volume 428.28 Å 3
Surface Area 330.89 Å 2
HOMO Energy -9.84 ± 0.55 eV
LUMO Energy 0.90 ± eV
Point Group Symmetry C1
Synonyms
  • 1-[(3r,5r,8r,9s,10s,13s,14s,17r)-3,17-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-yl]ethanone
  • 17-alpha-hydroxypregnanolone
  • 17alpha-hydroxypregnanolone
  • 3-alpha,17-alpha-dihydroxy-5-beta-pregnan-20-one
  • 3.alpha.,17.alpha.-dihydroxy-5.beta.-pregnan-20-one
  • 3alpha,17alpha-dihydroxy-5beta-pregnan-20-one
  • 5-beta-pregnan-20-one, 3-alpha,17-alpha-dihydroxy-
  • 5.beta.-pregnan-20-one, 3.alpha.,17.alpha.-dihydroxy-
  • 5beta-pregnan-20-one, 3alpha,17alpha-dihydroxy-
  • pregnan-20-one, 3,17-dihydroxy-, (3-alpha,5-beta)- (9ci)
  • pregnan-20-one, 3,17-dihydroxy-, (3.alpha.,5.beta.)-
  • pregnan-20-one, 3,17-dihydroxy-, (3alpha,5beta)- (9ci)
CAS Number(s)
  • 570-52-5
InChIKey LKQDFQLSEHWIRK-UKBVDAKRSA-N
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