chempirical

5α-Cholestane

C27H48CAS 481-21-0372.68 g/mol

Open in Covalent MOL file

Properties

Molecular formula
C27H48
Molar mass
372.68 g/mol
Exact mass
372.3756 Da
Melting point
80 °C
logP
8.50Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
5
Stereocentres
R, R, S, R, R, S, S, Rin SMILES atom order

Identifiers

CAS number
481-21-0
SMILES
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3CC[C@]12C
InChIKey
XIIAYQZJNBULGD-XWLABEFZSA-N
InChI
InChI=1S/C27H48/c1-19(2)9-8-10-20(3)23-14-15-24-22-13-12-21-11-6-7-17-26(21,4)25(22)16-18-27(23,24)5/h19-25H,6-18H2,1-5H3/t20-,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

8 names
  • Cholestane, (5α)-
  • (5α)-Cholestane
  • 28,29,30-Trinorlanostane
  • Cholestane
  • α-Cholestane
  • (20R)-5α(H),14α(H),17α(H)-Cholestane
  • NSC 224419
  • (5R,8R,9S,10S,13R,14S,17R)-10,13-Dimethyl-17-((R)-6-methylheptan-2-yl)hexadecahydro-1H-cyclopenta[a]phenanthrene

Work with 5α-Cholestane

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

Cholestanol80-97-770 % similar Androstane438-22-252 % similar Olesoxime22033-87-048 % similar 6-Ketocholestanol1175-06-048 % similar Cholesteryl bromide516-91-647 % similar Cholesterol57-88-547 % similar Cholesteryl chloride910-31-647 % similar Lithocholic acid434-13-945 % similar

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

Elsewhere

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