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LIGULARINE;NON-IONIZED-FORM
SpectraBase Compound ID ApDlqsc5BH9
InChI InChI=1S/C23H31NO9/c1-7-17-20(31-14(3)25)13(2)23(5,33-15(4)26)22(29)30-12-16-8-10-24(6)11-9-18(19(16)27)32-21(17)28/h7-8,13,18,20H,9-12H2,1-6H3/b16-8-,17-7-
InChIKey AXKQLQXZIOIGKA-FNHJTUOHSA-N
Mol Weight 465.5 g/mol
Molecular Formula C23H31NO9
Exact Mass 465.199882 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID K6icMNowSap
Name LIGULARINE;NON-IONIZED-FORM
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H31NO9
InChI InChI=1S/C23H31NO9/c1-7-17-20(31-14(3)25)13(2)23(5,33-15(4)26)22(29)30-12-16-8-10-24(6)11-9-18(19(16)27)32-21(17)28/h7-8,13,18,20H,9-12H2,1-6H3/b16-8-,17-7-
InChIKey AXKQLQXZIOIGKA-FNHJTUOHSA-N
Literature Reference Author G.LIN,P.ROSE,K.B.CHATSON,E.M.HAWES,X.G.ZHAO,Z.T.WANG
Literature Reference Citation J.NAT.PROD.,63,857(2000)
Literature Reference DOI 10.1021/np9906119
Molecular Weight 465.500 g/mol
Solvent CDCl3
Source File Reference UWSP10003