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CHEBI:39118 - (+)-trans-allethrin

ChEBI IDCHEBI:39118
ChEBI Name(+)-trans-allethrin
Stars
ASCII Name(+)-trans-allethrin
Last Modified8 August 2007
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC19H26O3
Net Charge0
Average Mass302.414
Monoisotopic Mass302.18819
SMILESC=CCC1=C(C)C(OC(=O)[C@@H]2[C@@H](C=C(C)C)C2(C)C)CC1=O
InChIInChI=1S/C19H26O3/c1-7-8-13-12(4)16(10-15(13)20)22-18(21)17-14(9-11(2)3)19(17,5)6/h7,9,14,16-17H,1,8,10H2,2-6H3/t14-,16?,17+/m1/s1
InChIKeyZCVAOQKBXKSDMS-AQYZNVCMSA-N
Roles Classification
Biological Role:
Application:
ChEBI Ontology
Outgoing Relation(s)
(+)-trans-allethrin (CHEBI:39118) has functional parent (+)-trans-chrysanthemic acid (CHEBI:39100)
(+)-trans-allethrin (CHEBI:39118) is a trans-allethrin (CHEBI:39117)
Incoming Relation(s)
(+)-trans-(R)-allethrin (CHEBI:39119) is a (+)-trans-allethrin (CHEBI:39118)
(+)-trans-(S)-allethrin (CHEBI:39115) is a (+)-trans-allethrin (CHEBI:39118)
IUPAC Name 
2-methyl-4-oxo-3-(prop-2-en-1-yl)cyclopent-2-en-1-yl (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropanecarboxylate
Synonyms  Source
3-allyl-2-methyl-4-oxocyclopent-2-en-1-yl (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropanecarboxylateIUPAC
d-trans-allethrinChemIDplus
2,2-dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarboxylic acid 2-methyl-4-oxo-3-(2-propenyl)-2-cyclopenten-1-yl esterChemIDplus
2-methyl-4-oxo-3-(2-propenyl)-2-cyclopenten-1-yl trans-(+)-2,2-dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarboxylateChemIDplus
Manual XrefsDatabases
80PPDB
Registry NumbersSources
Beilstein:2702992Beilstein
CAS:28057-48-9ChemIDplus