(3β,5Alpha,15β,25R)-Cholest-8(14)-Ene-3,15,26-Triol

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Properties Simple | Detailed

Formula C27H46O3
IUPAC Name (3s,5s,9r,10s,13r,15r,17r)-17-[(1r,5r)-6-hydroxy-1,5-dimethyl-hexyl]-10,13-dimethyl-2,3,4,5,6,7,9,11,12,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthrene-3,15-diol
Molecular Mass 418.652 g·mol−1
Heat of Formation -877.8 ± 16.7 kJ·mol−1
Dipole Moment 2.94 ± 1.08 D
Volume 564.83 Å 3
Surface Area 436.98 Å 2
HOMO Energy -9.07 ± 0.55 eV
LUMO Energy 1.21 ± eV
Point Group Symmetry C1
Synonyms
  • (3s,5s,9r,10s,13r,15r,17r)-17-[(1r,5r)-6-hydroxy-1,5-dimethyl-hexyl]-10,13-dimethyl-2,3,4,5,6,7,9,11,12,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthrene-3,15-diol
  • (3s,5s,9r,10s,13r,15r,17r)-17-[(1r,5r)-6-hydroxy-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,5,6,7,9,11,12,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthrene-3,15-diol
  • (3s,5s,9r,10s,13r,15r,17r)-17-[(2r,6r)-7-hydroxy-6-methyl-heptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,9,11,12,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthrene-3,15-diol
  • (3s,5s,9r,10s,13r,15r,17r)-17-[(2r,6r)-7-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,9,11,12,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthrene-3,15-diol
  • 5-cetl
  • 5alpha-cholest-8(14)-ene-3beta,15beta,26-triol
  • cholest-8(14)-ene-3,15,26-triol, (3beta,5alpha,15beta,25r)-
CAS Number(s)
  • 142533-06-0
InChIKey AEICTKLHPYUJKJ-FUCZZUMBSA-N
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