(3β,8Alpha,9β,10Alpha,24S)-Stigmast-5-En-3-Ol

Molecule SVG Image

Properties Simple | Detailed

Formula C29H50O
IUPAC Name (3s,8r,9r,10s,13r,14s,17r)-17-[(1r,4s)-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]phenanthren-3-ol
Molecular Mass 414.707 g·mol−1
Heat of Formation -553.9 ± 16.7 kJ·mol−1
Dipole Moment 2.38 ± 1.08 D
Volume 577.21 Å 3
Surface Area 437.25 Å 2
HOMO Energy -9.27 ± 0.55 eV
LUMO Energy 1.20 ± eV
Point Group Symmetry C1
Synonyms
  • (24alphafh)-stigmast-5-en-3beta-ol
  • (3beta,8xi,9xi,10xi,13xi,14xi,17xi,24s)-stigmast-5-en-3-ol
  • (3s,8r,9r,10s,13r,14s,17r)-17-[(1r,4s)-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]phenanthren-3-ol
  • (3s,8r,9r,10s,13r,14s,17r)-17-[(1r,4s)-4-ethyl-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-ol
  • (3s,8r,9r,10s,13r,14s,17r)-17-[(2r,5s)-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]phenanthren-3-ol
  • (3s,8r,9r,10s,13r,14s,17r)-17-[(2r,5s)-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]phenanthren-3-ol
  • 17-(4-ethyl-1,5-dimethyl-hexyl)-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-3-ol
InChIKey KZJWDPNRJALLNS-JQEGLAGPSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O