EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:79570 - 2,2-dimethyl-3-[4-(acetyloxy)phenyl]-4-ethyl-2H-1-benzopyran-7-ol acetate

ChEBI IDCHEBI:79570
ChEBI Name2,2-dimethyl-3-[4-(acetyloxy)phenyl]-4-ethyl-2H-1-benzopyran-7-ol acetate
Stars
ASCII Name2,2-dimethyl-3-[4-(acetyloxy)phenyl]-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-(acetyloxy)phenyl group at position 3 respectively.
Last Modified23 June 2015
DownloadsMolfile
FormulaC23H24O5
Net Charge0
Average Mass380.440
Monoisotopic Mass380.16237
SMILESCCC1=C(c2ccc(OC(C)=O)cc2)C(C)(C)Oc2cc(OC(C)=O)ccc21
InChIInChI=1S/C23H24O5/c1-6-19-20-12-11-18(27-15(3)25)13-21(20)28-23(4,5)22(19)16-7-9-17(10-8-16)26-14(2)24/h7-13H,6H2,1-5H3
InChIKeyMYPFOICOYSUJOZ-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
2,2-dimethyl-3-[4-(acetyloxy)phenyl]-4-ethyl-2H-1-benzopyran-7-ol acetate (CHEBI:79570) is a acetate ester (CHEBI:47622)
2,2-dimethyl-3-[4-(acetyloxy)phenyl]-4-ethyl-2H-1-benzopyran-7-ol acetate (CHEBI:79570) is a chromenes (CHEBI:23232)
2,2-dimethyl-3-[4-(acetyloxy)phenyl]-4-ethyl-2H-1-benzopyran-7-ol acetate (CHEBI:79570) is a diester (CHEBI:51307)
IUPAC Name 
4-[7-(acetyloxy)-4-ethyl-2,2-dimethyl-2H-1-benzopyran-3-yl]phenyl acetate
Synonyms  Source
4-Ethyl-3-(p-hydroxyphenyl)-2,2-dimethyl-2H-1-benzopyran-7-ol diacetateKEGG COMPOUND
7-acetoxy-3-(4-acetoxy-phenyl)-4-ethyl-2,2-dimethyl-2H-chromeneChEBI
Manual XrefsDatabases
C15050KEGG COMPOUND
Registry NumbersSources
Reaxys:1269924Reaxys