chempirical

Cholesteryl myristate

C41H72O2CAS 1989-52-2597.03 g/mol

Open in Covalent MOL file
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AlkeneEster

Properties

Molecular formula
C41H72O2
Molar mass
597.03 g/mol
Exact mass
596.5532 Da
Melting point
80–86 °C
logP
12.64Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
18
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
1989-52-2
SMILES
CCCCCCCCCCCCCC(=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
SJDMTGSQPOFVLR-ZPQCIJQQSA-N
InChI
InChI=1S/C41H72O2/c1-7-8-9-10-11-12-13-14-15-16-17-21-39(42)43-34-26-28-40(5)33(30-34)22-23-35-37-25-24-36(32(4)20-18-19-31(2)3)41(37,6)29-27-38(35)40/h22,31-32,34-38H,7-21,23-30H2,1-6H3/t32-,34+,35+,36-,37+,38+,40+,41-/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-tetradecanoate
  • Cholesterol, myristate
  • Cholest-5-en-3-ol (3β)-, tetradecanoate
  • Myristic acid, cholesteryl ester
  • Cholesteryl tetradecanoate
  • Cholestryl myristate
  • NSC 226867
  • Cholest-5-en-3β-ol palmitate
  • 5-Cholesten-3β-ol palmitate
  • Cholesterol tetradecanoate

Work with Cholesteryl myristate

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 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