(2β,5β,22R)-2,14,22,25-Tetrahydroxycholest-7-Ene-3,6-Dione

Molecule SVG Image

Properties Simple | Detailed

Formula C27H42O6
IUPAC Name (2s,5r,9r,10r,13r,14s,17r)-17-[(1s,2r)-2,5-dihydroxy-1,5-dimethyl-hexyl]-2,14-dihydroxy-10,13-dimethyl-1,2,4,5,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthrene-3,6-dione
Molecular Mass 462.619 g·mol−1
Heat of Formation -1316.5 ± 16.7 kJ·mol−1
Dipole Moment 5.33 ± 1.08 D
Volume 586.21 Å 3
Surface Area 441.77 Å 2
HOMO Energy -9.98 ± 0.55 eV
LUMO Energy 2.56 ± eV
Point Group Symmetry C1
Synonyms
  • (22r)-2beta,14,22,25-tetrahydroxy-5beta-cholest-7-ene-3,6-dione
  • (2beta,5beta,22r)-2,14,22,25-tetrahydroxy-cholest-7-ene-3,6-dione
  • (2s,5r,9r,10r,13r,14s,17r)-17-[(1s,2r)-2,5-dihydroxy-1,5-dimethyl-hexyl]-2,14-dihydroxy-10,13-dimethyl-1,2,4,5,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthrene-3,6-dione
  • (2s,5r,9r,10r,13r,14s,17r)-17-[(1s,2r)-2,5-dihydroxy-1,5-dimethyl-hexyl]-2,14-dihydroxy-10,13-dimethyl-1,2,4,5,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthrene-3,6-quinone
  • (2s,5r,9r,10r,13r,14s,17r)-17-[(1s,2r)-2,5-dihydroxy-1,5-dimethylhexyl]-2,14-dihydroxy-10,13-dimethyl-1,2,4,5,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthrene-3,6-dione
  • (2s,5r,9r,10r,13r,14s,17r)-17-[(2s,3r)-3,6-dihydroxy-6-methyl-heptan-2-yl]-2,14-dihydroxy-10,13-dimethyl-1,2,4,5,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthrene-3,6-dione
  • (2s,5r,9r,10r,13r,14s,17r)-17-[(2s,3r)-3,6-dihydroxy-6-methylheptan-2-yl]-2,14-dihydroxy-10,13-dimethyl-1,2,4,5,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthrene-3,6-dione
InChIKey GDSSFVCRVUQMRG-OSCDMYCUSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O