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

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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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

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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

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