Cholest-5-En-3-Yl Decanoate

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Properties Simple | Detailed

Formula C37H64O2
IUPAC Name [(3r,8r,9r,10s,13s,14r,17s)-17-[(1s)-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
Molecular Mass 540.903 g·mol−1
Heat of Formation 5050.3 ± 16.7 kJ·mol−1
Dipole Moment 7.11 ± 1.08 D
Volume 464.89 Å 3
Surface Area 388.18 Å 2
HOMO Energy -7.74 ± 0.55 eV
LUMO Energy -2.69 ± 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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