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CHEBI:79573 - 2,2-dimethyl-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-7-ol acetate

ChEBI IDCHEBI:79573
ChEBI Name2,2-dimethyl-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-7-ol acetate
Stars
ASCII Name2,2-dimethyl-3-(4-methoxyphenyl)-4-propyl-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, a propyl group at position 4 and a 4-methoxyphenyl group at position 3 respectively.
Last Modified23 June 2015
DownloadsMolfile
FormulaC23H26O4
Net Charge0
Average Mass366.457
Monoisotopic Mass366.18311
SMILESCCCC1=C(c2ccc(OC)cc2)C(C)(C)Oc2cc(OC(C)=O)ccc21
InChIInChI=1S/C23H26O4/c1-6-7-20-19-13-12-18(26-15(2)24)14-21(19)27-23(3,4)22(20)16-8-10-17(25-5)11-9-16/h8-14H,6-7H2,1-5H3
InChIKeyNSETTWBXUXKUOF-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
2,2-dimethyl-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-7-ol acetate (CHEBI:79573) is a acetate ester (CHEBI:47622)
2,2-dimethyl-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-7-ol acetate (CHEBI:79573) is a chromenes (CHEBI:23232)
2,2-dimethyl-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-7-ol acetate (CHEBI:79573) is a monomethoxybenzene (CHEBI:25235)
IUPAC Name 
3-(4-methoxyphenyl)-2,2-dimethyl-4-propyl-2H-1-benzopyran-7-yl acetate
Synonym  Source
7-acetoxy-3-(4-methoxy-phenyl)-2,2-dimethyl-4-propyl-2H-chromeneChEBI
Manual XrefsDatabases
C15053KEGG COMPOUND
Registry NumbersSources
Reaxys:1269152Reaxys