5α-Cholest-8(14)-Ene-3Beta,7α-Diol

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Properties Simple | Detailed

Formula C27H46O2
IUPAC Name (3s,5r,7r,9r,10s,13r,17r)-17-[(1r)-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,5,6,7,9,11,12,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthrene-3,7-diol
Molecular Mass 402.653 g·mol−1
Heat of Formation -716.9 ± 16.7 kJ·mol−1
Dipole Moment 1.14 ± 1.08 D
Volume 552.42 Å 3
Surface Area 436.65 Å 2
HOMO Energy -9.00 ± 0.55 eV
LUMO Energy 1.22 ± eV
Point Group Symmetry C1
Synonyms
  • (3s,5r,7r,9r,10s,13r,17r)-10,13-dimethyl-17-[(2r)-6-methylheptan-2-yl]-2,3,4,5,6,7,9,11,12,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthrene-3,7-diol
  • (3s,5r,7r,9r,10s,13r,17r)-17-[(1r)-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,5,6,7,9,11,12,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthrene-3,7-diol
  • 5-cediol
  • cholest-8(14)-ene-3,7-diol
  • cholest-8(14)-ene-3,7-diol, (3beta,5alpha,7alpha)-
CAS Number(s)
  • 69140-06-3
InChIKey GSHNIZXJELCQAO-ZWECLWEZSA-N
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