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KOPSINIDINE_A;N-(1)-DECARBOMETHOXY-11,12-METHYLENEDIOXYKOPSINE
SpectraBase Compound ID A9fa3Ie2nVh
InChI InChI=1S/C21H22N2O4/c24-16-12-8-23-7-1-4-18-5-6-20(19(16,25)9-18)21(12,17(18)23)11-2-3-13-15(14(11)22-20)27-10-26-13/h2-3,12,17,22,25H,1,4-10H2/t12-,17+,18+,19+,20+,21-/m0/s1
InChIKey WJLQBNHRNGNRLK-WPFICWKUSA-N
Mol Weight 366.42 g/mol
Molecular Formula C21H22N2O4
Exact Mass 366.157957 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FtNg8wUt8Pt
Name KOPSINIDINE_A;N-(1)-DECARBOMETHOXY-11,12-METHYLENEDIOXYKOPSINE
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H22N2O4
InChI InChI=1S/C21H22N2O4/c24-16-12-8-23-7-1-4-18-5-6-20(19(16,25)9-18)21(12,17(18)23)11-2-3-13-15(14(11)22-20)27-10-26-13/h2-3,12,17,22,25H,1,4-10H2/t12-,17+,18+,19+,20+,21-/m0/s1
InChIKey WJLQBNHRNGNRLK-WPFICWKUSA-N
Literature Reference Author K.H.LIM,O.HIRAKU,K.KOMIYAMA,T.KOYANO,M.HAYASHI,T.S.KAM
Literature Reference Citation J.NAT.PROD.,70,1302(2007)
Literature Reference DOI 10.1021/np0702234
Molecular Weight 366.417 g/mol
Sample ID 31409
Solvent CDCl3