7-Ketocholesterol

Molecule SVG Image

Properties Simple | Detailed

Formula C27H44O2
IUPAC Name (3s,8s,9s,10r,13r,14s,17r)-17-[(1r)-1,5-dimethylhexyl]-3-hydroxy-10,13-dimethyl-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-7-one
Molecular Mass 400.637 g·mol−1
Heat of Formation -642.4 ± 16.7 kJ·mol−1
Dipole Moment 4.29 ± 1.08 D
Volume 541.86 Å 3
Surface Area 422.26 Å 2
HOMO Energy -9.57 ± 0.55 eV
LUMO Energy -0.07 ± eV
Point Group Symmetry C1
Synonyms
  • (3-beta)-3-hydroxycholest-5-en-7-one
  • (3s,8s,9s,10r,13r,14s,17r)-17-[(1r)-1,5-dimethylhexyl]-3-hydroxy-10,13-dimethyl-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-7-one
  • (3s,8s,9s,10r,13r,14s,17r)-3-hydroxy-10,13-dimethyl-17-[(2r)-6-methylheptan-2-yl]-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-7-one
  • 3-beta-hydroxycholest-5-en-7-one
  • 3beta-hydroxy-5-cholesten-7-one
  • 3beta-hydroxycholest-5-en-7-one
  • 5-cholesten-3beta-ol-7-one
  • 7-oxo-cholest-5-en-3beta-ol
  • 7-oxocholesterol
  • cholest-5-en-7-one, 3-beta-hydroxy- (8ci)
  • cholest-5-en-7-one, 3-hydroxy-, (3-beta)- (9ci)
  • cholesterol, 7-oxo-
  • lmst01010049
  • sc 4722
CAS Number(s)
  • 566-28-9
InChIKey YIKKMWSQVKJCOP-ABXCMAEBSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O