Cholesteryl heptanoate

C34H58O2CAS 1182-07-6498.84 g/mol

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OO
AlkeneEster

Properties

Molecular formula
C34H58O2
Molar mass
498.84 g/mol
Exact mass
498.4437 Da
Melting point
111.4–112.2 °C
logP
9.91Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
11
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
1182-07-6
SMILES
CCCCCCC(=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
KXWDMNPRHKRGKB-DYQRUOQXSA-N
InChI
InChI=1S/C34H58O2/c1-7-8-9-10-14-32(35)36-27-19-21-33(5)26(23-27)15-16-28-30-18-17-29(25(4)13-11-12-24(2)3)34(30,6)22-20-31(28)33/h15,24-25,27-31H,7-14,16-23H2,1-6H3/t25-,27+,28+,29-,30+,31+,33+,34-/m1/s1

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

Names and synonyms

8 names
  • Cholest-5-en-3-ol (3β)-, 3-heptanoate
  • Cholesterol, heptanoate
  • Cholest-5-en-3-ol (3β)-, heptanoate
  • Heptanoic acid, cholesteryl ester
  • Cholesteryl enanthate
  • Cholest-5-en-3β-ol heptanoate
  • 5-Cholesten-3β-ol heptanoate
  • Cholesteryl heptylate

Work with Cholesteryl heptanoate

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 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 Cholesteryl palmitate601-34-3100 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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