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CHEBI:71581 - 4α-methyl-5α-cholest-8(14)-en-3β-ol

Default Structure
ChEBI IDCHEBI:71581
ChEBI Name4α-methyl-5α-cholest-8(14)-en-3β-ol
Stars
ASCII Name4alpha-methyl-5alpha-cholest-8(14)-en-3beta-ol
DefinitionA 3β-sterol that is 5α-cholest-8(14)-en-3β-ol bearing an α-methyl substituent at position 4.
Last Modified17 January 2013
SubmitterAlan Bridge
DownloadsMolfile
FormulaC28H48O
Net Charge0
Average Mass400.691
Monoisotopic Mass400.37052
SMILES[H][C@]12CC[C@@]3(C)C(=C1CC[C@@]1([H])[C@H](C)[C@@H](O)CC[C@]21C)CC[C@]3([H])[C@H](C)CCCC(C)C
InChIInChI=1S/C28H48O/c1-18(2)8-7-9-19(3)22-12-13-24-21-10-11-23-20(4)26(29)15-17-28(23,6)25(21)14-16-27(22,24)5/h18-20,22-23,25-26,29H,7-17H2,1-6H3/t19-,20+,22-,23+,25+,26+,27-,28+/m1/s1
InChIKeyUIPYFONRKZTOIY-GQZGFCDBSA-N
ChEBI Ontology
Outgoing Relation(s)
4α-methyl-5α-cholest-8(14)-en-3β-ol (CHEBI:71581) is a 3β-sterol (CHEBI:35348)
4α-methyl-5α-cholest-8(14)-en-3β-ol (CHEBI:71581) is a cholestanoid (CHEBI:50401)
IUPAC Name 
4α-methyl-5α-cholest-8(14)-en-3β-ol
Synonym  Source
(3β,4α,5α)-4-methylcholest-8(14)-en-3-olChEBI
Registry NumbersSources
Reaxys:3158178Reaxys
Citations