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3',4',5,6-TETRA-O-[(2-NAPHTHYL)-METHYL]_NEAMINE
SpectraBase Compound ID 37wc0imyPjm
InChI InChI=1S/C56H58N4O6/c57-30-49-53(62-32-36-18-22-40-10-2-6-14-44(40)26-36)54(63-33-37-19-23-41-11-3-7-15-45(41)27-37)50(60)56(65-49)66-52-48(59)29-47(58)51(61-31-35-17-21-39-9-1-5-13-43(39)25-35)55(52)64-34-38-20-24-42-12-4-8-16-46(42)28-38/h1-28,47-56H,29-34,57-60H2/t47-,48+,49-,50-,51+,52-,53-,54-,55-,56-/m0/s1
InChIKey RSPIGWQNAFRZIJ-KRDAIDHQSA-N
Mol Weight 883.1 g/mol
Molecular Formula C56H58N4O6
Exact Mass 882.435636 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8Wk2RrhfFPL
Name 3',4',5,6-TETRA-O-[(2-NAPHTHYL)-METHYL]_NEAMINE
Compound Number 11
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C56H58N4O6
InChI InChI=1S/C56H58N4O6/c57-30-49-53(62-32-36-18-22-40-10-2-6-14-44(40)26-36)54(63-33-37-19-23-41-11-3-7-15-45(41)27-37)50(60)56(65-49)66-52-48(59)29-47(58)51(61-31-35-17-21-39-9-1-5-13-43(39)25-35)55(52)64-34-38-20-24-42-12-4-8-16-46(42)28-38/h1-28,47-56H,29-34,57-60H2/t47-,48+,49-,50-,51+,52-,53-,54-,55-,56-/m0/s1
InChIKey RSPIGWQNAFRZIJ-KRDAIDHQSA-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 883.100 g/mol
Solvent CD3OD
Source File Reference UWMZ45169