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LIGULARINE;IONIZED-FORM
SpectraBase Compound ID 8Ghki3DxIAW
InChI InChI=1S/C23H32NO9/c1-7-17-19(31-14(3)25)13(2)22(5,33-15(4)26)21(28)30-12-16-8-10-24(6)11-9-18(23(16,24)29)32-20(17)27/h7-8,13,18-19,29H,9-12H2,1-6H3/q+1/b17-7-
InChIKey UJFFAMMZKASLBJ-IDUWFGFVSA-N
Mol Weight 466.5 g/mol
Molecular Formula C23H32NO9
Exact Mass 466.207707 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E8uhlVMJG8K
Name Senecionanium, 12,14-bis(acetyloxy)-8-hydroxy-4-methyl-11,16-dioxo-, (12.xi.,13.xi.)-
CAS Registry Number 34429-54-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H32NO9
InChI InChI=1S/C23H32NO9/c1-7-17-19(31-14(3)25)13(2)22(5,33-15(4)26)21(28)30-12-16-8-10-24(6)11-9-18(23(16,24)29)32-20(17)27/h7-8,13,18-19,29H,9-12H2,1-6H3/q+1/b17-7-
InChIKey UJFFAMMZKASLBJ-IDUWFGFVSA-N
Molecular Weight 466.507 g/mol
SMILES OC12[N+]3(CC=C2COC(C(OC(=O)C)(C)C(C(\C(C(OC1CC3)=O)=C\C)OC(=O)C)C)=O)C
SPLASH splash10-03di-5925100000-b39a604ae497be6bdfcb
Source of Spectrum SD-1981-0-0
Synonyms 12-(acetyloxy)-8-hydroxy-4-methyl-11,16-dioxosenecionan-4-ium-14-yl acetate Ligularine Senecionanium, 12,14-bis(acetyloxy)-8-hydroxy-4-methyl-11,16-dioxo-, (12xi,13xi)-
Wiley ID 1391707