chempirical

25-Hydroxycholesterol

C27H46O2CAS 2140-46-7402.66 g/mol

Open in Covalent MOL file
OHOH
AlcoholAlkene

Properties

Molecular formula
C27H46O2
Molar mass
402.66 g/mol
Exact mass
402.3498 Da
Melting point
177–179 °C
logP
6.50Crippen estimate
Polar surface area
40.5 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
5
Stereocentres
R, R, S, S, S, R, S, Rin SMILES atom order

Identifiers

CAS number
2140-46-7
SMILES
C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
InChIKey
INBGSXNNRGWLJU-ZHHJOTBYSA-N
InChI
InChI=1S/C27H46O2/c1-18(7-6-14-25(2,3)29)22-10-11-23-21-9-8-19-17-20(28)12-15-26(19,4)24(21)13-16-27(22,23)5/h8,18,20-24,28-29H,6-7,9-17H2,1-5H3/t18-,20+,21+,22-,23+,24+,26+,27-/m1/s1

Weigh it out

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

Names and synonyms

5 names
  • Cholest-5-ene-3,25-diol, (3β)-
  • Cholest-5-ene-3β,25-diol
  • (3β)-Cholest-5-ene-3,25-diol
  • 5-Cholesten-3β,25-diol
  • 25-Hydroxy-5-cholestene-3β-ol

Work with 25-Hydroxycholesterol

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

Cholesterol57-88-580 % similar Campesterol474-62-477 % similar Cholenic acid5255-17-470 % similar Beta-sitosterol83-46-569 % similar Androstenediol521-17-566 % similar Cholesteryl bromide516-91-663 % similar Cholesteryl chloride910-31-660 % similar Pregnenolone145-13-160 % similar

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

Same formula

6-Ketocholestanol1175-06-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook