(3β,5Alpha,6β)-Cholestane-3,5,6-Triol

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Formula C27H48O3
IUPAC Name (3s,5r,6r,8s,9s,10r,13r,14s,17r)-17-[(1r)-1,5-dimethylhexyl]-10,13-dimethyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,5,6-triol
Molecular Mass 420.668 g·mol−1
Heat of Formation -954.9 ± 16.7 kJ·mol−1
Dipole Moment 1.69 ± 1.08 D
Volume 567.87 Å 3
Surface Area 434.64 Å 2
HOMO Energy -9.84 ± 0.55 eV
LUMO Energy 2.30 ± eV
Point Group Symmetry C1
Synonyms
  • (3s,5r,6r,8s,9s,10r,13r,14s,17r)-10,13-dimethyl-17-[(2r)-6-methylheptan-2-yl]-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,5,6-triol
  • (3s,5r,6r,8s,9s,10r,13r,14s,17r)-17-[(1r)-1,5-dimethylhexyl]-10,13-dimethyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,5,6-triol
  • 3.beta.,5.alpha.,6.beta.-trihydroxycholestane
  • 3beta,5alpha,6beta-cholestanetriol
  • 3beta,5alpha,6beta-trihydroxycholestane
  • 3beta-hydroxycholestane-5alpha,6beta-diol
  • 5-alpha,6-beta-dihydroxycholestanol
  • 5-alpha-cholestane-3-beta,5,6-beta-triol (8ci)
  • 5.alpha.-cholestane-3.beta.,5,6.beta.-triol
  • 5alpha,6beta-dihydroxycholestanol
  • 5alpha-cholestane-3beta,5,6beta-triol (8ci)
  • cholesta-3.beta.,5.alpha.,6.beta.-triol
  • cholesta-3beta,5alpha,6beta-triol
  • cholestane-3,5,6-triol, (3-beta,5-alpha,6-beta)- (9ci)
  • cholestane-3,5,6-triol, (3.beta.,5.alpha.,6.beta.)-
  • cholestane-3,5,6-triol, (3beta,5alpha,6beta)- (9ci)
  • cholestane-3-beta,5-alpha,6-beta-triol
  • cholestane-3.beta.,5.alpha.,6.beta.-triol
  • cholestane-3beta,5alpha,6beta-triol
  • cholestane-3beta-5alpha,6beta-triol
  • ct
  • lmst01010052
CAS Number(s)
  • 1253-84-5
InChIKey YMMFNKXZULYSOQ-RUXQDQFYSA-N
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