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CHEBI:79581 - 2,2-dibutyl-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-7-ol acetate

ChEBI IDCHEBI:79581
ChEBI Name2,2-dibutyl-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-7-ol acetate
Stars
ASCII Name2,2-dibutyl-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-7-ol acetate
DefinitionA member of the class of chromenes that is 2H-1-benzopyran-7-ol acetate substituted butyl groups at positions 2 and 2, a methyl group at position 4 and a 4-methoxyphenyl group at position 3 respectively.
Last Modified23 June 2015
DownloadsMolfile
FormulaC27H34O4
Net Charge0
Average Mass422.565
Monoisotopic Mass422.24571
SMILESCCCCC1(CCCC)Oc2cc(OC(C)=O)ccc2C(C)=C1c1ccc(OC)cc1
InChIInChI=1S/C27H34O4/c1-6-8-16-27(17-9-7-2)26(21-10-12-22(29-5)13-11-21)19(3)24-15-14-23(30-20(4)28)18-25(24)31-27/h10-15,18H,6-9,16-17H2,1-5H3
InChIKeyCETLNFWQTHLCEA-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
2,2-dibutyl-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-7-ol acetate (CHEBI:79581) is a acetate ester (CHEBI:47622)
2,2-dibutyl-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-7-ol acetate (CHEBI:79581) is a chromenes (CHEBI:23232)
2,2-dibutyl-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-7-ol acetate (CHEBI:79581) is a monomethoxybenzene (CHEBI:25235)
IUPAC Name 
2,2-dibutyl-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-7-yl acetate
Manual XrefsDatabases
C15061KEGG COMPOUND
Registry NumbersSources
Reaxys:1272846Reaxys