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

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ChEBI Name 2,2-dibutyl-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-7-ol acetate
ChEBI ID CHEBI:79581
ChEBI ASCII Name 2,2-dibutyl-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-7-ol acetate
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C27H34O4
Net Charge 0
Average Mass 422.55650
Monoisotopic Mass 422.24571
InChI InChI=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
InChIKey CETLNFWQTHLCEA-UHFFFAOYSA-N
SMILES CCCCC1(CCCC)Oc2cc(OC(C)=O)ccc2C(C)=C1c1ccc(OC)cc1
ChEBI Ontology
Outgoing 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 Xref Database
C15061 KEGG COMPOUND
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Registry Number Type Source
1272846 Reaxys Registry Number Reaxys
Last Modified
23 June 2015