5β-Cholestane-3β,7Alpha,25-Triol

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Properties Simple | Detailed

Formula C27H48O3
IUPAC Name (3s,5s,7r,8r,9s,10s,13r,14s,17r)-17-[(1r)-5-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-diol
Molecular Mass 420.668 g·mol−1
Heat of Formation -978.4 ± 16.7 kJ·mol−1
Dipole Moment 3.60 ± 1.08 D
Volume 570.56 Å 3
Surface Area 431.75 Å 2
HOMO Energy -9.89 ± 0.55 eV
LUMO Energy 2.98 ± eV
Point Group Symmetry C1
Synonyms
  • (3s,5s,7r,8r,9s,10s,13r,14s,17r)-17-[(1r)-5-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-diol
  • (3s,5s,7r,8r,9s,10s,13r,14s,17r)-17-[(1r)-5-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-diol
  • (3s,5s,7r,8r,9s,10s,13r,14s,17r)-17-[(2r)-6-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-diol
  • (3s,5s,7r,8r,9s,10s,13r,14s,17r)-17-[(2r)-6-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-diol
  • lmst04030102
InChIKey UROPIWALBBMYRP-LHUVMQPUSA-N
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