5-Cholestene-3β,12Alpha-Diol

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Formula C27H46O2
IUPAC Name (3s,8r,9s,10r,12s,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-3,12-diol
Molecular Mass 402.653 g·mol−1
Heat of Formation -710.2 ± 16.7 kJ·mol−1
Dipole Moment 2.64 ± 1.08 D
Volume 551.01 Å 3
Surface Area 427.88 Å 2
HOMO Energy -9.36 ± 0.55 eV
LUMO Energy 1.14 ± eV
Point Group Symmetry C1
Synonyms
  • (3s,8r,9s,10r,12s,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-3,12-diol
  • (3s,8r,9s,10r,12s,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-3,12-diol
  • 5-cls-3,12-dl
  • cholest-5-ene-3,12-diol, (3beta,12alpha)-
  • cholest-5-ene-3beta,12alpha-diol
CAS Number(s)
  • 566-46-1
InChIKey DDKSQIWASYXGKZ-XWXSNNQWSA-N
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