Cholesteryl valerate

C32H54O2CAS 7726-03-6470.78 g/mol

Open in Covalent MOL file
OO
AlkeneEster

Properties

Molecular formula
C32H54O2
Molar mass
470.78 g/mol
Exact mass
470.4124 Da
Melting point
90 °C
logP
9.13Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
9
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
7726-03-6
SMILES
CCCCC(=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
RWTQCZGAMKTBRV-PTHRTHQKSA-N
InChI
InChI=1S/C32H54O2/c1-7-8-12-30(33)34-25-17-19-31(5)24(21-25)13-14-26-28-16-15-27(23(4)11-9-10-22(2)3)32(28,6)20-18-29(26)31/h13,22-23,25-29H,7-12,14-21H2,1-6H3/t23-,25+,26+,27-,28+,29+,31+,32-/m1/s1

Weigh it out

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

Names and synonyms

9 names
  • Cholest-5-en-3-ol (3β)-, 3-pentanoate
  • Cholesterol, valerate
  • Cholest-5-en-3-ol (3β)-, pentanoate
  • Valeric acid, cholesteryl ester
  • Cholesterol pentanoate
  • Cholesteryl pentanoate
  • Cholesteryl n-valerate
  • Cholest-5-en-3β-ol valerate
  • 5-Cholesten-3β-ol valerate

Work with Cholesteryl valerate

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 caproate1062-96-095 % 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

PubChem CAS Common Chemistry NIST WebBook