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CHEBI:79575 - 2,2-dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol acetate

ChEBI IDCHEBI:79575
ChEBI Name2,2-dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol acetate
Stars
ASCII Name2,2-dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol acetate
DefinitionA member of the class of chromenes that is 2H-1-benzopyran-7-ol acetate substituted by methyl groups at positions 2 and 2, an ethyl group at position 4 and a 4-methoxyphenyl group at position 3 respectively.
Last Modified23 June 2015
DownloadsMolfile
FormulaC22H24O4
Net Charge0
Average Mass352.430
Monoisotopic Mass352.16746
SMILESCCC1=C(c2ccc(OC)cc2)C(C)(C)Oc2cc(OC(C)=O)ccc21
InChIInChI=1S/C22H24O4/c1-6-18-19-12-11-17(25-14(2)23)13-20(19)26-22(3,4)21(18)15-7-9-16(24-5)10-8-15/h7-13H,6H2,1-5H3
InChIKeyHZTLJZSOMGPVTM-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
2,2-dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol acetate (CHEBI:79575) is a acetate ester (CHEBI:47622)
2,2-dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol acetate (CHEBI:79575) is a chromenes (CHEBI:23232)
2,2-dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol acetate (CHEBI:79575) is a monomethoxybenzene (CHEBI:25235)
IUPAC Name 
4-ethyl-3-(4-methoxyphenyl)-2,2-dimethyl-2H-1-benzopyran-7-yl acetate
Synonym  Source
7-acetoxy-4-ethyl-3-(4-methoxy-phenyl)-2,2-dimethyl-2H-chromeneChEBI
Manual XrefsDatabases
C15055KEGG COMPOUND
Registry NumbersSources
Reaxys:1266611Reaxys