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CHEBI:176317 - 1,28-Octacosanediol diferulate

ChEBI IDCHEBI:176317
ChEBI Name1,28-Octacosanediol diferulate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC48H74O8
Net Charge0
Average Mass779.112
Monoisotopic Mass778.53837
SMILESCOc1ccc(/C=C/C(=O)OCCCCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)/C=C/c2ccc(OC)c(O)c2)cc1O
InChIInChI=1S/C48H74O8/c1-53-45-33-29-41(39-43(45)49)31-35-47(51)55-37-27-25-23-21-19-17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20-22-24-26-28-38-56-48(52)36-32-42-30-34-46(54-2)44(50)40-42/h29-36,39-40,49-50H,3-28,37-38H2,1-2H3/b35-31+,36-32+
InChIKeyBNCYSRWQCKLMQU-QUTRQNJUSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
1,28-Octacosanediol diferulate (CHEBI:176317) is a hydroxycinnamic acid (CHEBI:24689)
IUPAC Name 
28-[(E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoyl]oxyoctacosyl (E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoate
Manual XrefsDatabases
30777228ChemSpider
HMDB0038065HMDB