(3α,5Beta,6α)-3,6-Dihydroxypregnan-20-One

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Properties Simple | Detailed

Formula C21H34O3
IUPAC Name 1-[(3r,5r,6s,8r,9s,10r,13s,14s,17s)-3,6-dihydroxy-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 334.493 g·mol−1
Heat of Formation -798.2 ± 16.7 kJ·mol−1
Dipole Moment 1.96 ± 1.08 D
Volume 430.44 Å 3
Surface Area 334.82 Å 2
HOMO Energy -9.99 ± 0.55 eV
LUMO Energy 0.92 ± eV
Point Group Symmetry C1
Synonyms
  • 1-[(3r,5r,6s,8r,9s,10r,13s,14s,17s)-3,6-dihydroxy-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-alpha,6-alpha-dihydroxy-5-beta-pregnan-20-one
  • 3.alpha.,6.alpha.-dihydroxy-5.beta.-pregnan-20-one
  • 3alpha,6alpha-dihydroxy-5beta-pregnan-20-one
  • 5-beta-pregnan-20-one, 3-alpha,6-alpha-dihydroxy-
  • 5.beta.-pregnan-20-one, 3.alpha.,6.alpha.-dihydroxy-
  • 5beta-pregnan-20-one, 3alpha,6alpha-dihydroxy-
  • 6-alpha-hydroxypregnanolone
  • 6alpha-hydroxypregnanolone
  • pregnan-20-one, 3,6-dihydroxy-, (3-alpha,5-beta,6-alpha)- (9ci)
  • pregnan-20-one, 3,6-dihydroxy-, (3.alpha.,5.beta.,6.alpha.)-
  • pregnan-20-one, 3,6-dihydroxy-, (3alpha,5beta,6alpha)- (9ci)
  • pregnan-3,6-diol-20-one
CAS Number(s)
  • 570-78-5
InChIKey HHUZGDMRRLQZIQ-PXWUZWBYSA-N
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