(3β,7Alpha)-Stigmast-5-Ene-3,7-Diol

Molecule SVG Image

Properties Simple | Detailed

Formula C29H50O2
IUPAC Name (3s,7s,8s,9s,10r,13r,14s,17r)-17-[(1r,4r)-4-ethyl-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 430.706 g·mol−1
Heat of Formation -749.3 ± 16.7 kJ·mol−1
Dipole Moment 3.43 ± 1.08 D
Volume 594.3 Å 3
Surface Area 444.5 Å 2
HOMO Energy -9.73 ± 0.55 eV
LUMO Energy 0.78 ± eV
Point Group Symmetry C1
Synonyms
  • (3s,7s,8s,9s,10r,13r,14s,17r)-17-[(1r,4r)-4-ethyl-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,4r)-4-ethyl-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,5r)-5-ethyl-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,5r)-5-ethyl-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
  • hydroxysitosterol
CAS Number(s)
  • 34427-61-7
InChIKey SXJVFYZNUGGHRG-GDDJFQTCSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O