Cholesteryl Decanoate (Caprate)

Molecule SVG Image

Properties Simple | Detailed

Formula C30H20O2
IUPAC Name (14z)-6-[2-(2-methylcyclopropen-1-yl)ethynyl]-4,19-dimethylene-bicyclo[9.8.0]nonadeca-11,12,14-trien-2,7,9,17-tetrayn-16-one; prop-1-yn-1-ol
Molecular Mass 412.479 g·mol−1
Heat of Formation -893.1 ± 16.7 kJ·mol−1
Dipole Moment 2.14 ± 1.08 D
Volume 759.82 Å 3
Surface Area 634.22 Å 2
HOMO Energy -9.18 ± 0.55 eV
LUMO Energy 0.95 ± eV
Point Group Symmetry C1
Synonyms
  • [(3s,8s,9s,10r,13r,14s,17r)-10,13-dimethyl-17-[(2r)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-yl] decanoate
  • [(3s,8s,9s,10r,13r,14s,17r)-17-[(1r)-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-yl] decanoate
  • capric acid [(3s,8s,9s,10r,13r,14s,17r)-17-[(1r)-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-yl] ester
  • decanoic acid [(3s,8s,9s,10r,13r,14s,17r)-17-[(1r)-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-yl] ester
  • fr-0289
InChIKey LJGMGXXCKVFFIS-IATSNXCDSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O