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CHEBI:38640 - spiromesifen

ChEBI IDCHEBI:38640
ChEBI Namespiromesifen
Stars
DefinitionA butenolide that is but-2-en-4-olide bearing a 2,4,6-trimethylphenyl group at position 3, a 3,3-dimethylbutyryloxy group at position 4 and a spiro-fused cyclopentyl ring at position 5.
Last Modified28 July 2014
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC23H30O4
Net Charge0
Average Mass370.489
Monoisotopic Mass370.21441
SMILESCc1cc(C)c(C2=C(OC(=O)CC(C)(C)C)C3(CCCC3)OC2=O)c(C)c1
InChIInChI=1S/C23H30O4/c1-14-11-15(2)18(16(3)12-14)19-20(26-17(24)13-22(4,5)6)23(27-21(19)25)9-7-8-10-23/h11-12H,7-10,13H2,1-6H3
InChIKeyGOLXNESZZPUPJE-UHFFFAOYSA-N
Roles Classification
Application:
insecticide  Strictly, a substance intended to kill members of the class Insecta. In common usage, any substance used for preventing, destroying, repelling or controlling insects.
ChEBI Ontology
Outgoing Relation(s)
spiromesifen (CHEBI:38640) has functional parent 1,3,5-trimethylbenzene (CHEBI:34833)
spiromesifen (CHEBI:38640) has functional parent 3,3-dimethylbutyric acid (CHEBI:38647)
spiromesifen (CHEBI:38640) has role insecticide (CHEBI:24852)
spiromesifen (CHEBI:38640) is a butenolide (CHEBI:50523)
IUPAC Name 
2-oxo-3-(2,4,6-trimethylphenyl)-1-oxaspiro[4.4]non-3-en-4-yl 3,3-dimethylbutanoate
Synonyms  Source
spiromesifenChemIDplus
3-mesityl-2-oxo-1-oxaspiro[4.4]non-3-en-4-yl 3,3-dimethylbutanoateIUPAC
Manual XrefsDatabases
C18488KEGG COMPOUND
CN101578990Patent
US2009156669Patent
CN101584318Patent
Registry NumbersSources
Reaxys:9659908Reaxys
CAS:283594-90-1ChemIDplus
CAS:283594-90-1KEGG COMPOUND
Citations