chempirical

Cholestanol

C27H48OCAS 80-97-7388.68 g/mol

Open in Covalent MOL file
OH
Alcohol

Properties

Molecular formula
C27H48O
Molar mass
388.68 g/mol
Exact mass
388.3705 Da
Melting point
141.5 °C
logP
7.47Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
5
Stereocentres
R, R, S, R, S, S, S, S, Rin SMILES atom order

Hazards

Not classified as hazardous under GHS. Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number
80-97-7
SMILES
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
InChIKey
QYIXCDOBOSTCEI-QCYZZNICSA-N
InChI
InChI=1S/C27H48O/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/h18-25,28H,6-17H2,1-5H3/t19-,20+,21+,22+,23-,24+,25+,26+,27-/m1/s1

Weigh it out

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

Names and synonyms

17 names · show all
  • Cholestan-3-ol, (3β,5α)-
  • 5α-Cholestan-3β-ol
  • (3β,5α)-Cholestan-3-ol
  • β-Cholestanol
  • Dihydrocholesterol
  • 3β-Hydroxycholestane
  • Zymostanol
  • 5α-Dihydrocholesterol
  • Dihydrocholesterin
  • 5α-Cholestanol
  • Cholestan-3β-ol
  • 3β-Hydroxy-5α-cholestane
  • NSC 18188
  • Lathostanol
  • Dihydrolathosterol
  • 5α(H)-Cholestan-3β-ol
  • (+)-Dihydrocholesterol

Reactions

Work with Cholestanol

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

5Alpha-Cholestane481-21-070 % similar Lithocholic acid434-13-966 % similar 6-Ketocholestanol1175-06-064 % similar 3α-Androstanediol1852-53-562 % similar 5Alpha-Androstane-3beta,17beta-diol571-20-062 % similar Cholestanone26264-62-061 % similar Cholesterol57-88-556 % similar 3α-Hydroxy-5α-pregnan-20-one516-54-154 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook