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SOLANAPYRONE_K;MAJOR_ISOMER
SpectraBase Compound ID XEhdFgchN5
InChI InChI=1S/C21H29NO4/c1-13-5-4-6-15-8-7-14(2)21(3,19(13)15)18-11-17(24)16(20(25)26-18)12-22-9-10-23/h7-8,11-15,19,22-23H,4-6,9-10H2,1-3H3/b16-12-/t13-,14-,15+,19+,21-/m0/s1
InChIKey DXYWDQBKSNFAKC-CVZLSYLOSA-N
Mol Weight 359.47 g/mol
Molecular Formula C21H29NO4
Exact Mass 359.209658 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CuWfmt61BW3
Name SOLANAPYRONE_K;MAJOR_ISOMER
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H29NO4
InChI InChI=1S/C21H29NO4/c1-13-5-4-6-15-8-7-14(2)21(3,19(13)15)18-11-17(24)16(20(25)26-18)12-22-9-10-23/h7-8,11-15,19,22-23H,4-6,9-10H2,1-3H3/b16-12-/t13-,14-,15+,19+,21-/m0/s1
InChIKey DXYWDQBKSNFAKC-CVZLSYLOSA-N
Literature Reference Author L.E.SCHMIDT,J.B.GLOER,D.T.WICKLOW
Literature Reference Citation J.NAT.PROD.,70,1317(2007)
Literature Reference DOI 10.1021/np070251m
Molecular Weight 359.466 g/mol
Sample ID 31425
Solvent CDCl3