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3',4',6-TRI-O-[(2-NAPHTHYL)-METHYL]_NEAMINE
SpectraBase Compound ID 5snaOK9gmqp
InChI InChI=1S/C45H50N4O6/c46-23-38-43(52-25-28-14-17-31-8-2-5-11-34(31)20-28)44(53-26-29-15-18-32-9-3-6-12-35(32)21-29)39(49)45(54-38)55-42-37(48)22-36(47)41(40(42)50)51-24-27-13-16-30-7-1-4-10-33(30)19-27/h1-21,36-45,50H,22-26,46-49H2/t36-,37+,38-,39-,40-,41+,42-,43-,44-,45-/m0/s1
InChIKey ZSAKFHKUBTUBSK-OGKILZMXSA-N
Mol Weight 742.9 g/mol
Molecular Formula C45H50N4O6
Exact Mass 742.373035 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LwHh4515tK2
Name 3',4',6-TRI-O-[(2-NAPHTHYL)-METHYL]_NEAMINE
Compound Number 10A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C45H50N4O6
InChI InChI=1S/C45H50N4O6/c46-23-38-43(52-25-28-14-17-31-8-2-5-11-34(31)20-28)44(53-26-29-15-18-32-9-3-6-12-35(32)21-29)39(49)45(54-38)55-42-37(48)22-36(47)41(40(42)50)51-24-27-13-16-30-7-1-4-10-33(30)19-27/h1-21,36-45,50H,22-26,46-49H2/t36-,37+,38-,39-,40-,41+,42-,43-,44-,45-/m0/s1
InChIKey ZSAKFHKUBTUBSK-OGKILZMXSA-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 742.915 g/mol
Solvent CD3OD
Source File Reference UWMZ45174