EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:59113 - 3-heptadecylveratrole

ChEBI IDCHEBI:59113
ChEBI Name3-heptadecylveratrole
Stars
DefinitionA dimethoxybenzene that is veratrole substituted at position 3 with a heptadecyl group.
Last Modified16 February 2016
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC25H44O2
Net Charge0
Average Mass376.625
Monoisotopic Mass376.33413
SMILESCCCCCCCCCCCCCCCCCc1cccc(OC)c1OC
InChIInChI=1S/C25H44O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-23-21-19-22-24(26-2)25(23)27-3/h19,21-22H,4-18,20H2,1-3H3
InChIKeyAKIPZQOCJIZIPE-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
3-heptadecylveratrole (CHEBI:59113) has functional parent veratrole (CHEBI:59114)
3-heptadecylveratrole (CHEBI:59113) is a dimethoxybenzene (CHEBI:51681)
IUPAC Name 
1-heptadecyl-2,3-dimethoxybenzene
Synonyms  Source
3-n-heptadecylveratroleChEBI
HDVChEBI
Registry NumbersSources
Reaxys:3391554Reaxys
CAS:72587-79-2ChemIDplus
Citations