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NIPHATOXIN_C;1-[(5-Z)-12-PYRIDIN-3-YLDODEC-5-EN-1-YL]-3-[(2-Z)-9-PYRIDIN-3-YLNON-2-EN-1-YL]-PYRIDINIUM
SpectraBase Compound ID Byj4bxs7bBY
InChI InChI=1S/C36H50N3/c1(3-6-10-14-21-34-24-18-27-37-31-34)2-4-9-13-17-29-39-30-20-26-36(33-39)23-16-12-8-5-7-11-15-22-35-25-19-28-38-32-35/h2,4,12,16,18-20,24-28,30-33H,1,3,5-11,13-15,17,21-23,29H2/q+1/b4-2-,16-12-
InChIKey QMKWJZIROZRKOP-JXSNUWOOSA-N
Mol Weight 524.8 g/mol
Molecular Formula C36H50N3
Exact Mass 524.400474 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DP5gs8uwEpb
Name NIPHATOXIN_C;1-[(5-Z)-12-PYRIDIN-3-YLDODEC-5-EN-1-YL]-3-[(2-Z)-9-PYRIDIN-3-YLNON-2-EN-1-YL]-PYRIDINIUM
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C36H50N3
InChI InChI=1S/C36H50N3/c1(3-6-10-14-21-34-24-18-27-37-31-34)2-4-9-13-17-29-39-30-20-26-36(33-39)23-16-12-8-5-7-11-15-22-35-25-19-28-38-32-35/h2,4,12,16,18-20,24-28,30-33H,1,3,5-11,13-15,17,21-23,29H2/q+1/b4-2-,16-12-
InChIKey QMKWJZIROZRKOP-JXSNUWOOSA-N
Literature Reference Author M.S.BUCHANAN,A.R.CARROLL,R.ADDEPALLI,V.M.AVERY,J.N.A.HOOPER, R.J.QUINN
Literature Reference Citation J.NAT.PROD.,70,2040(2007)
Literature Reference DOI 10.1021/np070366q
Molecular Weight 524.813 g/mol
Sample ID 31280
Solvent DMSO-D6