Products 87818-31-3

CAS 87818-31-3 appears in our catalog under these names: Cinmethylin, Cinmethylin 10 µg/mL in Cyclohexane, CINMETHYLIN MIXTURE OF ISOMERS PESTANAL, Cinmethylin, Concentration: 100 µg/ml Solvent: Cyclohexane. Offered by: TRC, Dr. Ehrenstorfer, Sigma-Aldrich, HPC Standards. Available pack sizes: 500mg, 50mg, 10ml, 1x1ml, 1x50mg, 1x25mg.

Structural formula: {0} (CAS {1})

Exo-(+)-cinmethylin is a 1-methyl-2-[(2-methylbenzyl)oxy]-4-(propan-2-yl)-7-oxabicyclo[2.2.1]heptane that is the exo-(+)-isomer of cinmethylin. It is an enantiomer of an exo-(-)-cinmethylin.

Source: ChEBI

Identity
Molecular formulaC18H26O2
Molecular weight274.4 g/mol
IUPAC name(1S,2R,4R)-1-methyl-2-[(2-methylphenyl)methoxy]-4-propan-2-yl-7-oxabicyclo[2.2.1]heptane
InChIKeyQMTNOLKHSWIQBE-FGTMMUONSA-N
SMILESCC1=CC=CC=C1CO[C@@H]2C[C@]3(CC[C@@]2(O3)C)C(C)C

Computed by PubChem (NCBI)