Cholesterol

C₂₇H₄₆OCAS 57-88-5386.66 g/mol

Open in Covalent MOL file

Alcohol Alkene

Properties

Molecular formula: C₂₇H₄₆O
Molar mass: 386.66 g/mol
Exact mass: 386.3549 Da
Density: 1.067 g/mL (at 20 °C)
Melting point: 148.5 °C
Boiling point: 360 °C
logP: 7.39Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 5
Stereocentres: R, R, S, S, S, R, S, Rin SMILES atom order

Identifiers

CAS number

57-88-5

SMILES

CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C

InChIKey

HVYWMOMLDIMFJA-DPAQBDIFSA-N

InChI

InChI=1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25,28H,6-8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1

Weigh it out

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

Names and synonyms

16 names · show all

Cholest-5-en-3-ol (3β)-
(3β)-Cholest-5-en-3-ol
Cholest-5-en-3β-ol
Cholesterin
5:6-Cholesten-3β-ol
Dythol
3β-Hydroxycholest-5-ene
Provitamin D
Cholesteryl alcohol
(-)-Cholesterol
δ5-Cholesten-3β-ol
Lidinit
Lidinite
NSC 8798
SyntheChol
Marine cholesterol

Work with Cholesterol

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

25-Hydroxycholesterol2140-46-780 % similar Campesterol474-62-478 % similar Cholesteryl bromide516-91-675 % similar Cholesteryl chloride910-31-675 % similar Cholesteryl formate4351-55-772 % similar Cholenic acid5255-17-472 % similar Beta-sitosterol83-46-570 % similar Cholesteryl chloroformate7144-08-369 % similar

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

Same formula

Cholestanone26264-62-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia