chempirical

Cholesteryl chloroformate

C28H45ClO2CAS 7144-08-3449.12 g/mol

Open in Covalent MOL file
OOCl
Acyl halideAlkene

Properties

Molecular formula
C28H45ClO2
Molar mass
449.12 g/mol
Exact mass
448.3108 Da
Melting point
117–118 °C
logP
8.77Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
6
Stereocentres
R, R, S, S, S, R, S, Rin SMILES atom order

Identifiers

CAS number
7144-08-3
SMILES
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)Cl)CC[C@]4(C)[C@H]3CC[C@]12C
InChIKey
QNEPTKZEXBPDLF-JDTILAPWSA-N
InChI
InChI=1S/C28H45ClO2/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(31-26(29)30)13-15-27(20,4)25(22)14-16-28(23,24)5/h9,18-19,21-25H,6-8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,27+,28-/m1/s1

Weigh it out

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

Names and synonyms

12 names
  • Cholest-5-en-3-ol (3β)-, 3-(carbonochloridate)
  • Cholesterol, chloroformate
  • Cholest-5-en-3-ol (3β)-, carbonochloridate
  • Formic acid, chloro-, cholesteryl ester
  • (Cholesteryloxy)carbonyl chloride
  • 3-Cholesteryl chloroformate
  • Cholesteryl chlorocarbonate
  • Cholesterol carbonochloridate
  • Cholesterol chlorocarbonate
  • Cholest-5-en-3β-ol chloroformate
  • NSC 59689
  • 3β-[(Chlorocarbonyl)oxy]-5-cholestene

Work with Cholesteryl chloroformate

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 acetate604-35-380 % similar Cholesteryl methyl carbonate15507-52-578 % similar Cholesteryl propionate633-31-878 % similar Cholesteryl butyrate521-13-176 % similar Cholesteryl benzoate604-32-075 % similar Cholesteryl valerate7726-03-675 % similar Cholesteryl caproate1062-96-074 % similar Cholesteryl formate4351-55-774 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook