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CHEBI:191814 - Campesteryl ferulate

ChEBI IDCHEBI:191814
ChEBI NameCampesteryl ferulate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC38H56O4
Net Charge0
Average Mass576.862
Monoisotopic Mass576.41786
SMILES[H][C@@]12CC=C3C[C@@H](OC(=O)/C=C/c4ccc(O)c(OC)c4)CC[C@]3(C)[C@@]1([H])CC[C@@]1(C)[C@@]2([H])CC[C@]1([H])[C@H](C)CC[C@@H](C)C(C)C
InChIInChI=1S/C38H56O4/c1-24(2)25(3)8-9-26(4)31-14-15-32-30-13-12-28-23-29(18-20-37(28,5)33(30)19-21-38(31,32)6)42-36(40)17-11-27-10-16-34(39)35(22-27)41-7/h10-12,16-17,22,24-26,29-33,39H,8-9,13-15,18-21,23H2,1-7H3/b17-11+/t25-,26-,29+,30+,31-,32+,33+,37+,38-/m1/s1
InChIKeySWIWTAJTJOYCTB-NMYXBGBTSA-N
Species of MetaboliteComponentSourceComments
Ulmus parvifolia (ncbitaxon:63058)
bark (BTO:0001301) MetaboLights (MTBLS4572)
seed (BTO:0001226) MetaboLights (MTBLS4572)
ChEBI Ontology
Outgoing Relation(s)
Campesteryl ferulate (CHEBI:191814) is a steroid ester (CHEBI:47880)
IUPAC Name 
[(3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-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] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
Manual XrefsDatabases
34987811ChemSpider
Registry NumbersSources
CAS:20972-07-0ChemIDplus