chempirical

Cholesteryl decanoate

C37H64O2CAS 1183-04-6540.92 g/mol

Open in Covalent MOL file
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AlkeneEster

Properties

Molecular formula
C37H64O2
Molar mass
540.92 g/mol
Exact mass
540.4906 Da
Melting point
91 °C
logP
11.08Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
14
Stereocentres
S, R, S, S, R, R, R, Sin SMILES atom order

Identifiers

CAS number
1183-04-6
SMILES
CCCCCCCCCC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H]([C@H](C)CCCC(C)C)[C@@]4(C)CC[C@@H]32)C1
InChIKey
LJGMGXXCKVFFIS-IATSNXCDSA-N
InChI
InChI=1S/C37H64O2/c1-7-8-9-10-11-12-13-17-35(38)39-30-22-24-36(5)29(26-30)18-19-31-33-21-20-32(28(4)16-14-15-27(2)3)37(33,6)25-23-34(31)36/h18,27-28,30-34H,7-17,19-26H2,1-6H3/t28-,30+,31+,32-,33+,34+,36+,37-/m1/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

14 names · show all
  • Cholest-5-en-3-ol (3β)-, 3-decanoate
  • Cholesterol, decanoate
  • Cholest-5-en-3-ol (3β)-, decanoate
  • Decanoic acid, cholesteryl ester
  • Cholesteryl caprate
  • Cholesterol caprate
  • Cholesteryl caprinate
  • Cholesterol n-decylate
  • Cholesteryl n-decylate
  • Cholesteryl decylate
  • 3β-(Decanoyloxy)-5-cholestene
  • Cholesterol 3-decanoate
  • Cholest-5-en-3β-ol caprate
  • 5-Cholesten-3β-ol caprate

Work with Cholesteryl decanoate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Cholesteryl heptanoate1182-07-6100 % similar Cholesteryl caprylate1182-42-9100 % similar Cholesteryl nonanoate1182-66-7100 % similar Cholesteryl stearate1184-05-0100 % similar Cholesteryl laurate1908-11-8100 % similar Cholesteryl myristate1989-52-2100 % similar Cholesteryl stearate35602-69-8100 % similar Cholesteryl palmitate601-34-3100 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook