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3',6-DI-O-[(2-QUINOLYL)-METHYL]_NEAMINE

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3',6-DI-O-[(2-QUINOLYL)-METHYL]_NEAMINE
SpectraBase Compound ID Cu5wMaHSmZx
InChI InChI=1S/C32H40N6O6/c33-14-25-27(39)31(42-16-20-12-10-18-6-2-4-8-24(18)38-20)26(36)32(43-25)44-30-22(35)13-21(34)29(28(30)40)41-15-19-11-9-17-5-1-3-7-23(17)37-19/h1-12,21-22,25-32,39-40H,13-16,33-36H2/t21-,22+,25-,26-,27-,28-,29+,30-,31-,32-/m1/s1
InChIKey XTLIGIRCDLLRKH-NVOYJYRXSA-N
Mol Weight 604.7 g/mol
Molecular Formula C32H40N6O6
Exact Mass 604.300933 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EhQbLqrdbsh
Name 3',6-DI-O-[(2-QUINOLYL)-METHYL]_NEAMINE
Compound Number 7D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C32H40N6O6
InChI InChI=1S/C32H40N6O6/c33-14-25-27(39)31(42-16-20-12-10-18-6-2-4-8-24(18)38-20)26(36)32(43-25)44-30-22(35)13-21(34)29(28(30)40)41-15-19-11-9-17-5-1-3-7-23(17)37-19/h1-12,21-22,25-32,39-40H,13-16,33-36H2/t21-,22+,25-,26-,27-,28-,29+,30-,31-,32-/m1/s1
InChIKey XTLIGIRCDLLRKH-NVOYJYRXSA-N
Literature Reference Author I.BAUSSANNE,A.BUSSIERE,S.HALDER,C.GANEM-ELBAZ,M.OUBERAI,M.RI OU,J.M.PARIS,E.ENNIF
Literature Reference Citation J.MED.CHEM.,53,119(2010)
Literature Reference DOI 10.1021/jm900615h
Molecular Weight 604.706 g/mol
Solvent D2O
Source File Reference UWMZ45173