EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:176228 - Campesteryl p-coumarate

ChEBI IDCHEBI:176228
ChEBI NameCampesteryl p-coumarate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC37H54O3
Net Charge0
Average Mass546.836
Monoisotopic Mass546.40730
SMILESCC(C)C(C)CCC(C)C1CCC2C3CC=C4CC(OC(=O)/C=C\c5ccc(O)cc5)CCC4(C)C3CCC12C
InChIInChI=1S/C37H54O3/c1-24(2)25(3)7-8-26(4)32-16-17-33-31-15-12-28-23-30(19-21-36(28,5)34(31)20-22-37(32,33)6)40-35(39)18-11-27-9-13-29(38)14-10-27/h9-14,18,24-26,30-34,38H,7-8,15-17,19-23H2,1-6H3/b18-11-
InChIKeyOOLXGDSPUCDFAL-WQRHYEAKSA-N
ChEBI Ontology
Outgoing Relation(s)
Campesteryl p-coumarate (CHEBI:176228) is a steroid ester (CHEBI:47880)
IUPAC Name 
[17-(5,6-dimethylheptan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] (Z)-3-(4-hydroxyphenyl)prop-2-enoate
Manual XrefsDatabases
HMDB0036283HMDB