Cholesterol, Nonanoate

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Properties Simple | Detailed

Formula C36H62O2
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] nonanoate
Molecular Mass 526.876 g·mol−1
Heat of Formation -871.9 ± 16.7 kJ·mol−1
Dipole Moment 2.16 ± 1.08 D
Volume 739.62 Å 3
Surface Area 613.65 Å 2
HOMO Energy -9.18 ± 0.55 eV
LUMO Energy 1.25 ± eV
Point Group Symmetry C1
Synonyms
  • 3beta-hydroxy-5-cholestene 3-nonanoate
  • 5-cholesten-3beta-ol 3-nonanoate
  • [(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] nonanoate
  • cholesteryl nonanoate
  • cholesteryl pelargonate
  • nonanoic 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
  • pelargonic 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
InChIKey WCLNGBQPTVENHV-MKQVXYPISA-N
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