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CHEBI:39115 - (+)-trans-(S)-allethrin

ChEBI IDCHEBI:39115
ChEBI Name(+)-trans-(S)-allethrin
Stars
ASCII Name(+)-trans-(S)-allethrin
Last Modified14 March 2019
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC19H26O3
Net Charge0
Average Mass302.414
Monoisotopic Mass302.18819
SMILESC=CCC1=C(C)[C@@H](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-PVAVHDDUSA-N
Roles Classification
Biological Role:
Application:
ChEBI Ontology
Outgoing Relation(s)
(+)-trans-(S)-allethrin (CHEBI:39115) is a (+)-trans-allethrin (CHEBI:39118)
(+)-trans-(S)-allethrin (CHEBI:39115) is enantiomer of (−)-trans-(R)-allethrin (CHEBI:39121)
Incoming Relation(s)
(−)-trans-(R)-allethrin (CHEBI:39121) is enantiomer of (+)-trans-(S)-allethrin (CHEBI:39115)
IUPAC Name 
(1S)-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
(S)-3-allyl-3-methyl-4-oxocyclopent-2-enyl (+)-trans-chrysanthemateChemIDplus
(1S)-3-allyl-2-methyl-4-oxocyclopent-2-en-1-yl (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropanecarboxylateIUPAC
trans-(+)-allethrinChemIDplus
S-bioallethrinChemIDplus
bioallethrin S-cyclopentenylChEBI
bioallethrin S-cyclopentenyl isomerChEBI
Manual XrefsDatabases
4354DrugCentral
LMPR0102060006LIPID MAPS
Registry NumbersSources
Beilstein:2059862Beilstein
CAS:28434-00-6ChemIDplus