(3α,5Beta,7α,12α,23R)-Cholestane-3,7,12,23-Tetrol

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Formula C27H48O4
IUPAC Name (3r,5s,7r,8r,9s,10s,12s,13r,14s,17r)-17-[(1r,3r)-3-hydroxy-1,5-dimethyl-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 436.668 g·mol−1
Heat of Formation -1151.7 ± 16.7 kJ·mol−1
Dipole Moment 5.47 ± 1.08 D
Volume 576.37 Å 3
Surface Area 424.08 Å 2
HOMO Energy -9.97 ± 0.55 eV
LUMO Energy 2.66 ± eV
Point Group Symmetry C1
Synonyms
  • (3r,5s,7r,8r,9s,10s,12s,13r,14s,17r)-17-[(1r,3r)-3-hydroxy-1,5-dimethyl-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,3r)-3-hydroxy-1,5-dimethylhexyl]-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,4r)-4-hydroxy-6-methyl-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
  • (3r,5s,7r,8r,9s,10s,12s,13r,14s,17r)-17-[(2r,4r)-4-hydroxy-6-methylheptan-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-3,7,12,23-tetrol
  • cholestane-3,7,12,23-tetrol
  • cholestane-3,7,12,23-tetrol, (3alpha,5beta,7alpha,12alpha,23r)-
CAS Number(s)
  • 68832-44-0
InChIKey VGCSSPQIZFVVCH-MYKQRDHBSA-N
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