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CHEBI:176060 - Cholesteryl ferulate

ChEBI IDCHEBI:176060
ChEBI NameCholesteryl ferulate
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SubmitterMetaboLights
DownloadsMolfile
FormulaC37H54O4
Net Charge0
Average Mass562.835
Monoisotopic Mass562.40221
SMILESCOc1cc(/C=C/C(=O)OC2CCC3(C)C(=CCC4C3CCC3(C)C(C(C)CCCC(C)C)CCC43)C2)ccc1O
InChIInChI=1S/C37H54O4/c1-24(2)8-7-9-25(3)30-14-15-31-29-13-12-27-23-28(18-20-36(27,4)32(29)19-21-37(30,31)5)41-35(39)17-11-26-10-16-33(38)34(22-26)40-6/h10-12,16-17,22,24-25,28-32,38H,7-9,13-15,18-21,23H2,1-6H3/b17-11+
InChIKeyCPBQNAKTSMCPNH-GZTJUZNOSA-N
ChEBI Ontology
Outgoing Relation(s)
Cholesteryl ferulate (CHEBI:176060) is a cholesteryl ester (CHEBI:17002)
IUPAC Name 
[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
Manual XrefsDatabases
15842133ChemSpider
HMDB0036293HMDB