Cholest-5-En-3-Yl Decanoate

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Properties Simple | Detailed

Formula C37H20O2
IUPAC Name [10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-yl] decanoate
Molecular Mass 496.553 g·mol−1
Heat of Formation 5385.1 ± 16.7 kJ·mol−1
Dipole Moment 13.51 ± 1.08 D
Volume 446.34 Å 3
Surface Area 306.04 Å 2
HOMO Energy -7.95 ± 0.55 eV
LUMO Energy -2.94 ± eV
Point Group Symmetry C1
Synonyms
  • 3beta-hydroxy-5-cholestene 3-decanoate
  • 5-cholesten-3beta-ol 3-decanoate
  • [17-(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 [17-(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
  • cholesteryl caprate
  • cholesteryl n-decanoate
  • decanoic acid [17-(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 LJGMGXXCKVFFIS-UHFFFAOYSA-N
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