chempirical

Cholesteryl formate

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

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

6 names
  • 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 Cholesteryl formate

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 Cholesteryl benzoate604-32-071 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook