chempirical

Cholesteryl laurate

C39H68O2CAS 1908-11-8568.97 g/mol

Open in Covalent MOL file
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AlkeneEster

Properties

Molecular formula
C39H68O2
Molar mass
568.97 g/mol
Exact mass
568.5219 Da
Melting point
91–92 °C
logP
11.86Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
16
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. Search the SDS library

Identifiers

CAS number
1908-11-8
SMILES
CCCCCCCCCCCC(=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
RMLFYKFCGMSLTB-ZBDFTZOCSA-N
InChI
InChI=1S/C39H68O2/c1-7-8-9-10-11-12-13-14-15-19-37(40)41-32-24-26-38(5)31(28-32)20-21-33-35-23-22-34(30(4)18-16-17-29(2)3)39(35,6)27-25-36(33)38/h20,29-30,32-36H,7-19,21-28H2,1-6H3/t30-,32+,33+,34-,35+,36+,38+,39-/m1/s1

Weigh it out

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

Names and synonyms

10 names
  • Cholest-5-en-3-ol (3β)-, 3-dodecanoate
  • Cholesterol, laurate
  • Cholest-5-en-3-ol (3β)-, dodecanoate
  • Lauric acid, cholesteryl ester
  • Cholesteryl dodecanoate
  • Dodecanoic acid cholesteryl ester
  • NSC 80701
  • Cholest-5-en-3β-ol laurate
  • 5-Cholesten-3β-ol laurate
  • Cholesterol dodecanoate

Work with Cholesteryl laurate

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 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