(3β,14Xi,22R)-Cholesta-5,24-Diene-3,22-Diol

Molecule SVG Image

Properties Simple | Detailed

Formula C27H44O2
IUPAC Name (3s,8s,9s,10r,13s,14s,17r)-17-[(1s,2r)-2-hydroxy-1,5-dimethyl-hex-4-enyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-ol
Molecular Mass 400.637 g·mol−1
Heat of Formation -623.9 ± 16.7 kJ·mol−1
Dipole Moment 1.44 ± 1.08 D
Volume 545.74 Å 3
Surface Area 408.41 Å 2
HOMO Energy -9.27 ± 0.55 eV
LUMO Energy 1.21 ± eV
Point Group Symmetry C1
Synonyms
  • (3s,8s,9s,10r,13s,14s,17r)-17-[(1s,2r)-2-hydroxy-1,5-dimethyl-hex-4-enyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-ol
  • (3s,8s,9s,10r,13s,14s,17r)-17-[(1s,2r)-2-hydroxy-1,5-dimethylhex-4-enyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-ol
  • (3s,8s,9s,10r,13s,14s,17r)-17-[(2s,3r)-3-hydroxy-6-methyl-hept-5-en-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,8s,9s,10r,13s,14s,17r)-17-[(2s,3r)-3-hydroxy-6-methylhept-5-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-ol
InChIKey DJZMVDQAHDXJDB-GFKLAVDKSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O