Cholesteryl oleate

C45H78O2CAS 303-43-5651.12 g/mol

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AlkeneEster

Properties

Molecular formula
C45H78O2
Molar mass
651.12 g/mol
Exact mass
650.6002 Da
Melting point
46–47 °C
logP
13.98Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
21
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
303-43-5
SMILES
CCCCCCCC/C=CCCCCCCCC(=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
RJECHNNFRHZQKU-RMUVNZEASA-N
InChI
InChI=1S/C45H78O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-43(46)47-38-30-32-44(5)37(34-38)26-27-39-41-29-28-40(36(4)24-22-23-35(2)3)45(41,6)33-31-42(39)44/h14-15,26,35-36,38-42H,7-13,16-25,27-34H2,1-6H3/b15-14-/t36-,38+,39+,40-,41+,42+,44+,45-/m1/s1

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Names and synonyms

13 names · show all
  • Cholest-5-en-3-ol (3β)-, 3-[(9Z)-9-octadecenoate]
  • Cholesterol, oleate
  • Cholest-5-en-3-ol (3β)-, 9-octadecenoate, (Z)-
  • Cholest-5-en-3-ol (3β)-, (9Z)-9-octadecenoate
  • Oleic acid, cholesteryl ester
  • Cholesteryl cis-9-octadecenoate
  • Oleoylcholesterol
  • Cholesterol 3β-oleate
  • Cholesteryl oleic ester
  • NSC 18186
  • Cholest-5-en-3-β-yl oleate
  • Yofco LC-CO-D
  • CE(18:1)

Work with Cholesteryl oleate

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 linoleate604-33-196 % similar Cholesteryl heptanoate1182-07-694 % similar Cholesteryl caprylate1182-42-994 % similar Cholesteryl nonanoate1182-66-794 % similar Cholesteryl decanoate1183-04-694 % similar Cholesteryl stearate1184-05-094 % similar Cholesteryl laurate1908-11-894 % similar Cholesteryl myristate1989-52-294 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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