Cholesteryl Valerate

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Properties Simple | Detailed

Formula C32H54O2
IUPAC Name [(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] pentanoate
Molecular Mass 470.770 g·mol−1
Heat of Formation -785.5 ± 16.7 kJ·mol−1
Dipole Moment 2.21 ± 1.08 D
Volume 650.19 Å 3
Surface Area 532.98 Å 2
HOMO Energy -9.19 ± 0.55 eV
LUMO Energy 0.96 ± eV
Point Group Symmetry C1
Synonyms
  • [(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] pentanoate
  • cholest-5-en-3-ol (3beta), pentanoate
  • cholest-5-en-3beta-yl valerate
  • cholesteryl pentanoate
  • fr-0479
  • pentanoic 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
  • valeric 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
CAS Number(s)
  • 7726-03-6
InChIKey RWTQCZGAMKTBRV-PTHRTHQKSA-N
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