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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 2,2-dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol acetate
ChEBI ID CHEBI:79575
ChEBI ASCII Name 2,2-dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol acetate
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C22H24O4
Net Charge 0
Average Mass 352.42360
Monoisotopic Mass 352.16746
InChI InChI=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
InChIKey HZTLJZSOMGPVTM-UHFFFAOYSA-N
SMILES CCC1=C(c2ccc(OC)cc2)C(C)(C)Oc2cc(OC(C)=O)ccc12
ChEBI Ontology
Outgoing 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-chromene ChEBI
Manual Xref Database
C15055 KEGG COMPOUND
View more database links
Registry Number Type Source
1266611 Reaxys Registry Number Reaxys
Last Modified
23 June 2015