(3β,7Alpha)-Cholest-5-Ene-3,7,25-Triol

Molecule SVG Image

Properties Simple | Detailed

Formula C27H46O3
IUPAC Name (3s,7s,8s,9s,10r,13r,14s,17r)-17-[(1r)-5-hydroxy-1,5-dimethyl-hexyl]-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 418.652 g·mol−1
Heat of Formation -896.6 ± 16.7 kJ·mol−1
Dipole Moment 5.07 ± 1.08 D
Volume 568.05 Å 3
Surface Area 436.08 Å 2
HOMO Energy -9.78 ± 0.55 eV
LUMO Energy 0.73 ± eV
Point Group Symmetry C1
Synonyms
  • (3s,7s,8s,9s,10r,13r,14s,17r)-17-[(1r)-5-hydroxy-1,5-dimethyl-hexyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthrene-3,7-diol
  • (3s,7s,8s,9s,10r,13r,14s,17r)-17-[(1r)-5-hydroxy-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
  • (3s,7s,8s,9s,10r,13r,14s,17r)-17-[(2r)-6-hydroxy-6-methyl-heptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthrene-3,7-diol
  • (3s,7s,8s,9s,10r,13r,14s,17r)-17-[(2r)-6-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthrene-3,7-diol
  • 7alpha,25-dihydroxycholesterol
InChIKey BQMSKLCEWBSPPY-IKVTXIKFSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O