83314-01-6 Purity
≥99.0%
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Specification
The molecular formula of rotenone is C23H22O6.
The molecular weight of rotenone is 394.4 g/mol.
The IUPAC name of rotenone is (1S,6R,13S)-16,17-dimethoxy-6-prop-1-en-2-yl-2,7,20-trioxapentacyclo[11.8.0.0 3,11 .0 4,8 .0 14,19 ]henicosa-3(11),4(8),9,14,16,18-hexaen-12-one.
The InChI of rotenone is InChI=1S/C23H22O6/c1-11(2)16-8-14-15(28-16)6-5-12-22(24)21-13-7-18(25-3)19(26-4)9-17(13)27-10-20(21)29-23(12)14/h5-7,9,16,20-21H,1,8,10H2,2-4H3/t16-,20-,21+/m1/s1.
The InChIKey of rotenone is JUVIOZPCNVVQFO-HBGVWJBISA-N.
The canonical SMILES of rotenone is CC(=C)C1CC2=C(O1)C=CC3=C2OC4COC5=CC(=C(C=C5C4C3=O)OC)OC.
The isomeric SMILES of rotenone is CC(=C)[C@H]1CC2=C(O1)C=CC3=C2O[C@@H]4COC5=CC(=C(C=C5[C@@H]4C3=O)OC)OC.
The CAS number of rotenone is 83-79-4.
The European Community (EC) number of rotenone is 201-501-9.
The UNII of rotenone is 03L9OT429T.