chempirical

Ester

C28H46O2CAS 4351-55-7414.67 g/mol

Open in Covalent MOL file
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AlkeneEster

Properties

Molecular formula
C28H46O2
Molar mass
414.67 g/mol
Exact mass
414.3498 Da
Melting point
97.5–98 °C
logP
7.57Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
7
Stereocentres
R, R, S, S, S, R, S, Rin 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
4351-55-7
SMILES
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC=O)CC[C@]4(C)[C@H]3CC[C@]12C
InChIKey
YEYCQJVCAMFWCO-PXBBAZSNSA-N
InChI
InChI=1S/C28H46O2/c1-19(2)7-6-8-20(3)24-11-12-25-23-10-9-21-17-22(30-18-29)13-15-27(21,4)26(23)14-16-28(24,25)5/h9,18-20,22-26H,6-8,10-17H2,1-5H3/t20-,22+,23+,24-,25+,26+,27+,28-/m1/s1

Weigh it out

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

Names and synonyms

7 names
  • Cholesteryl formate
  • Cholest-5-en-3-ol (3β)-, 3-formate
  • Cholesterol, formate
  • Cholest-5-en-3-ol (3β)-, formate
  • 3β-(Formyloxy)cholest-5-ene
  • Cholest-5-en-3β-ol formate
  • 5-Cholesten-3β-ol formate

Work with Ester

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 acetate604-35-375 % similar Cholesteryl methyl carbonate15507-52-574 % similar Cholesteryl propionate633-31-874 % similar Cholesteryl chloroformate7144-08-374 % similar Cholesterol57-88-572 % similar Cholesteryl butyrate521-13-172 % similar Cholesteryl hemisuccinate1510-21-071 % similar Cholesterol ethyl carbonate23836-43-371 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook