5α-Cholest-14-En-3Beta,16α-Diol

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Formula C27H46O2
IUPAC Name (3s,5s,8r,9s,10s,13r,16r,17r)-17-[(1r)-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,16,17-dodecahydro-1h-cyclopenta[a]phenanthrene-3,16-diol
Molecular Mass 402.653 g·mol−1
Heat of Formation -712.5 ± 16.7 kJ·mol−1
Dipole Moment 2.77 ± 1.08 D
Volume 550.7 Å 3
Surface Area 427.33 Å 2
HOMO Energy -9.53 ± 0.55 eV
LUMO Energy 0.95 ± eV
Point Group Symmetry C1
Synonyms
  • (3s,5s,8r,9s,10s,13r,16r,17r)-10,13-dimethyl-17-[(2r)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,16,17-dodecahydro-1h-cyclopenta[a]phenanthrene-3,16-diol
  • (3s,5s,8r,9s,10s,13r,16r,17r)-17-[(1r)-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,16,17-dodecahydro-1h-cyclopenta[a]phenanthrene-3,16-diol
  • cholest-14-ene-3,16-diol
CAS Number(s)
  • 139953-32-5
InChIKey ZOAXOAKEGDZGLC-PUHROEFSSA-N
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