Cholest-5,7-Dien-3.β.-Yl Acetate

Molecule SVG Image

Properties Simple | Detailed

Formula C29H46O2
IUPAC Name [(3s,9s,10r,13r,14r,17r)-17-[(1r)-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1h-cyclopenta[a]phenanthren-3-yl] acetate
Molecular Mass 426.674 g·mol−1
Heat of Formation -630.6 ± 16.7 kJ·mol−1
Dipole Moment 1.85 ± 1.08 D
Volume 582.32 Å 3
Surface Area 461.63 Å 2
HOMO Energy -8.41 ± 0.55 eV
LUMO Energy 0.51 ± eV
Point Group Symmetry C1
Synonyms
  • 3beta-acetoxychoesta-5,7-diene
  • [(3s,9s,10r,13r,14r,17r)-10,13-dimethyl-17-[(2r)-6-methylheptan-2-yl]-2,3,4,9,11,12,14,15,16,17-decahydro-1h-cyclopenta[a]phenanthren-3-yl] acetate
  • [(3s,9s,10r,13r,14r,17r)-10,13-dimethyl-17-[(2r)-6-methylheptan-2-yl]-2,3,4,9,11,12,14,15,16,17-decahydro-1h-cyclopenta[a]phenanthren-3-yl] ethanoate
  • [(3s,9s,10r,13r,14r,17r)-17-[(1r)-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1h-cyclopenta[a]phenanthren-3-yl] acetate
  • cholest-5,7-dien-3beta-yl acetate
  • cholesta-5,7-dien-3-beta-yl acetate
  • cholesta-5,7-dien-3-ol, acetate, (3beta)
  • cholesta-5,7-dien-3beta-ol acetate
  • cholesta-5,7-dien-3beta-yl acetate
InChIKey ACGNVBRAISEVDK-RPIQFHTISA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O