chempirical

5Alpha-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

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

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

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Names and synonyms

9 names
  • 5α-Cholestane
  • 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

Reactions

Work with 5Alpha-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 Cholestanone26264-62-066 % similar 5Alpha-Androstane438-22-252 % similar Cholestenone601-57-052 % similar (3Alpha)-3-chloro-cholest-4-ene13901-10-550 % similar Olesoxime22033-87-048 % similar 6-Ketocholestanol1175-06-048 % similar Cholesteryl bromide516-91-647 % similar

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

Elsewhere

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