5-Cholestene-3β,7β-Diol

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Properties Simple | Detailed

Formula C27H46O2
IUPAC Name (3s,7r,8s,9s,10r,13r,14s,17r)-17-[(1r)-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthrene-3,7-diol
Molecular Mass 402.653 g·mol−1
Heat of Formation -706.2 ± 16.7 kJ·mol−1
Dipole Moment 3.34 ± 1.08 D
Volume 553.69 Å 3
Surface Area 430.6 Å 2
HOMO Energy -9.59 ± 0.55 eV
LUMO Energy 0.85 ± eV
Point Group Symmetry C1
Synonyms
  • (3.beta.,7.beta.)-7-hydroxycholest-5-en-3-ol
  • (3s,7r,8s,9s,10r,13r,14s,17r)-10,13-dimethyl-17-[(2r)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthrene-3,7-diol
  • (3s,7r,8s,9s,10r,13r,14s,17r)-17-[(1r)-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthrene-3,7-diol
  • 7-hydroxycholesterol
  • 7.beta.-hydroxycholesterol
  • cholest-5-ene-3beta,7beta-diol
  • hcr
  • lmst01010047
InChIKey OYXZMSRRJOYLLO-KGZHIOMZSA-N
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