5β-Cholestane-3Alpha,7Alpha,26,27-Tetrol

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Formula C27H48O4
IUPAC Name (3r,5s,7r,8r,9s,10s,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-diol
Molecular Mass 436.668 g·mol−1
Heat of Formation -1107.1 ± 16.7 kJ·mol−1
Dipole Moment 4.80 ± 1.08 D
Volume 580.17 Å 3
Surface Area 449.75 Å 2
HOMO Energy -9.84 ± 0.55 eV
LUMO Energy 2.52 ± eV
Point Group Symmetry C1
Synonyms
  • (3r,5s,7r,8r,9s,10s,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-diol
  • (3r,5s,7r,8r,9s,10s,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-diol
  • (3r,5s,7r,8r,9s,10s,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-diol
  • (3r,5s,7r,8r,9s,10s,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-diol
  • cholestane-3,7,26,27-tetrol
  • lmst04030025
CAS Number(s)
  • 107088-80-2
InChIKey KWZLHGRUZVXWLT-CFHOJGGSSA-N
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