(3α,5α,7α,12α)-Cholestane-3,7,12,26,27-Pentol

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Formula C27H48O5
IUPAC Name (3r,5r,7r,8r,9s,10s,12s,13r,14s,17r)-17-[(1r)-6-hydroxy-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 452.667 g·mol−1
Heat of Formation -1304.4 ± 16.7 kJ·mol−1
Dipole Moment 5.86 ± 1.08 D
Volume 585.82 Å 3
Surface Area 459.05 Å 2
HOMO Energy -10.07 ± 0.55 eV
LUMO Energy 5.61 ± eV
Point Group Symmetry C1
Synonyms
  • (3r,5r,7r,8r,9s,10s,12s,13r,14s,17r)-17-[(1r)-6-hydroxy-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,5r,7r,8r,9s,10s,12s,13r,14s,17r)-17-[(1r)-6-hydroxy-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,5r,7r,8r,9s,10s,12s,13r,14s,17r)-17-[(1r)-6-hydroxy-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,5r,7r,8r,9s,10s,12s,13r,14s,17r)-17-[(2r)-7-hydroxy-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
  • 5alpha-cholestane-3alpha,7alpha,12alpha,26,27-pentol
  • 5beta-cholestane-3alpha,7-alpha,12alpha,26,27-pentol
  • cholestane-3,7,12,26,27-pentol
  • cholestane-3,7,12,26,27-pentol, (3alpha,5alpha,7alpha,12alpha)-
  • lmst04030019
CAS Number(s)
  • 2952-70-7
InChIKey JNMALBXXJSWZQY-BBBUMGABSA-N
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