EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:86565 - 4-hydroxy cinnamyl alcohol diacetate

ChEBI IDCHEBI:86565
ChEBI Name4-hydroxy cinnamyl alcohol diacetate
Stars
DefinitionAn acetate ester that is a diester obtained by the formal condensation of the two hydroxy groups of trans-p-coumaryl alcohol with two molecules of acetic acid respectively.
Last Modified3 April 2018
DownloadsMolfile
FormulaC13H14O4
Net Charge0
Average Mass234.251
Monoisotopic Mass234.08921
SMILESCC(=O)OC/C=C/c1ccc(OC(C)=O)cc1
InChIInChI=1S/C13H14O4/c1-10(14)16-9-3-4-12-5-7-13(8-6-12)17-11(2)15/h3-8H,9H2,1-2H3/b4-3+
InChIKeyJAFORXKRQBIDEE-ONEGZZNKSA-N
ChEBI Ontology
Outgoing Relation(s)
4-hydroxy cinnamyl alcohol diacetate (CHEBI:86565) has functional parent trans-p-coumaryl alcohol (CHEBI:64555)
4-hydroxy cinnamyl alcohol diacetate (CHEBI:86565) is a phenyl acetates (CHEBI:140310)
IUPAC Name 
(2E)-3-[4-(acetyloxy)phenyl]prop-2-en-1-yl acetate
Synonym  Source
E-p-coumaryl alcohol diacetateChEBI
Registry NumbersSources
Reaxys:5537291Reaxys