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CHEBI:79579 - 2,2,4-trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate

ChEBI IDCHEBI:79579
ChEBI Name2,2,4-trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate
Stars
ASCII Name2,2,4-trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate
DefinitionA member of the class of chromenes that is 2H-1-benzopyran-7-ol acetate substituted by a methyl groups at positions 2, 2 and 4 and a 4-methoxyphenyl group at position 3 respectively.
Last Modified23 June 2015
DownloadsMolfile
FormulaC21H22O4
Net Charge0
Average Mass338.403
Monoisotopic Mass338.15181
SMILESCOc1ccc(C2=C(C)c3ccc(OC(C)=O)cc3OC2(C)C)cc1
InChIInChI=1S/C21H22O4/c1-13-18-11-10-17(24-14(2)22)12-19(18)25-21(3,4)20(13)15-6-8-16(23-5)9-7-15/h6-12H,1-5H3
InChIKeyFBKRESBGJGGEEA-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
2,2,4-trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate (CHEBI:79579) is a acetate ester (CHEBI:47622)
2,2,4-trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate (CHEBI:79579) is a chromenes (CHEBI:23232)
2,2,4-trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate (CHEBI:79579) is a monomethoxybenzene (CHEBI:25235)
IUPAC Name 
3-(4-methoxyphenyl)-2,2,4-trimethyl-2H-1-benzopyran-7-yl acetate
Manual XrefsDatabases
C15059KEGG COMPOUND
Registry NumbersSources
Reaxys:1264226Reaxys