Cholesteryl palmitate

C43H76O2CAS 601-34-3625.08 g/mol

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AlkeneEster

Properties

Molecular formula
C43H76O2
Molar mass
625.08 g/mol
Exact mass
624.5845 Da
Melting point
79 °C
logP
13.42Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
20
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
601-34-3
SMILES
CCCCCCCCCCCCCCCC(=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
BBJQPKLGPMQWBU-JADYGXMDSA-N
InChI
InChI=1S/C43H76O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-23-41(44)45-36-28-30-42(5)35(32-36)24-25-37-39-27-26-38(34(4)22-20-21-33(2)3)43(39,6)31-29-40(37)42/h24,33-34,36-40H,7-23,25-32H2,1-6H3/t34-,36+,37+,38-,39+,40+,42+,43-/m1/s1

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Names and synonyms

11 names
  • Cholest-5-en-3-ol (3β)-, 3-hexadecanoate
  • Cholesterol, palmitate
  • Cholest-5-en-3-ol (3β)-, hexadecanoate
  • Palmitic acid, cholesteryl ester
  • Cholesteryl hexadecanoate
  • Hexadecanoic acid cholesteryl ester
  • NSC 59692
  • Cholest-5-en-3β-ol stearate
  • 5-Cholesten-3β-ol stearate
  • Cholesterol hexadecanoate
  • CE(16:0)

Work with Cholesteryl palmitate

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 decanoate1183-04-6100 % similar Cholesteryl stearate1184-05-0100 % similar Cholesteryl laurate1908-11-8100 % similar Cholesteryl myristate1989-52-2100 % similar Cholesteryl stearate35602-69-8100 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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