chempirical

Cholesteryl palmitate

C43H76O2CAS 601-34-3625.08 g/mol

Open in Covalent MOL file
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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

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

Weigh it out

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

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

PubChem CAS Common Chemistry NIST WebBook