(3α,5Beta,7α,12α,25S)-Cholestane-3,7,12,26-Tetrol

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Formula C27H48O4
IUPAC Name (3r,5s,7r,8r,9s,10s,12s,13r,14s,17r)-17-[(1r,5s)-6-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 -1129.3 ± 16.7 kJ·mol−1
Dipole Moment 2.76 ± 1.08 D
Volume 574.88 Å 3
Surface Area 427.7 Å 2
HOMO Energy -9.92 ± 0.55 eV
LUMO Energy 2.70 ± eV
Point Group Symmetry C1
Synonyms
  • (3r,5s,7r,8r,9s,10s,12s,13r,14s,17r)-17-[(1r,5s)-6-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,5s)-6-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,6s)-7-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,6s)-7-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
InChIKey XJZGNVBLVFOSKJ-SFQJQOGLSA-N
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