3-Hydroxycholest-8-En-7-One

Molecule SVG Image

Properties Simple | Detailed

Formula C27H44O2
IUPAC Name (3s,5r,10s,13r,14r,17r)-17-[(1r)-1,5-dimethylhexyl]-3-hydroxy-10,13-dimethyl-1,2,3,4,5,6,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-7-one
Molecular Mass 400.637 g·mol−1
Heat of Formation -659.0 ± 16.7 kJ·mol−1
Dipole Moment 4.11 ± 1.08 D
Volume 546.07 Å 3
Surface Area 425.35 Å 2
HOMO Energy -9.47 ± 0.55 eV
LUMO Energy 0.03 ± eV
Point Group Symmetry C1
Synonyms
  • (3s,5r,10s,13r,14r,17r)-17-[(1r)-1,5-dimethylhexyl]-3-hydroxy-10,13-dimethyl-1,2,3,4,5,6,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-7-one
  • (3s,5r,10s,13r,14r,17r)-3-hydroxy-10,13-dimethyl-17-[(2r)-6-methylheptan-2-yl]-1,2,3,4,5,6,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-7-one
InChIKey ZKZOFLZBQASYNQ-CWLSSZRFSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O