(3α,5Beta,7α,12α,24R)-Cholestane-3,7,12,24,26,27-Hexol

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Formula C27H48O6
IUPAC Name (3r,5s,7r,8r,9s,10s,12s,13r,14s,17r)-17-[(1r,4r)-4,6-dihydroxy-5-(hydroxymethyl)-1-methyl-hexyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthrene-3,7,12-triol
Molecular Mass 468.666 g·mol−1
Heat of Formation -1486.5 ± 16.7 kJ·mol−1
Dipole Moment 7.98 ± 1.08 D
Volume 597.2 Å 3
Surface Area 459.63 Å 2
HOMO Energy -10.03 ± 0.55 eV
LUMO Energy 1.85 ± eV
Point Group Symmetry C1
Synonyms
  • (3r,5s,7r,8r,9s,10s,12s,13r,14s,17r)-17-[(1r,4r)-4,6-dihydroxy-1-methyl-5-methylol-hexyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthrene-3,7,12-triol
  • (3r,5s,7r,8r,9s,10s,12s,13r,14s,17r)-17-[(1r,4r)-4,6-dihydroxy-5-(hydroxymethyl)-1-methyl-hexyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthrene-3,7,12-triol
  • (3r,5s,7r,8r,9s,10s,12s,13r,14s,17r)-17-[(1r,4r)-4,6-dihydroxy-5-(hydroxymethyl)-1-methylhexyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthrene-3,7,12-triol
  • (3r,5s,7r,8r,9s,10s,12s,13r,14s,17r)-17-[(2r,5r)-5,7-dihydroxy-6-(hydroxymethyl)heptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthrene-3,7,12-triol
  • 5beta-cholestane-3alpha,7alpha,12alpha,24,26,27-hexol
  • 5beta-scymnol
  • cholestane-3,7,12,24,26,27-hexol, (3alpha,5beta,7alpha,12alpha)-
  • scymnol
CAS Number(s)
  • 6785-34-8
InChIKey DIPHJTHZUWDJIK-JPLAUYQNSA-N
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