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#57;METHYL-(4'S,5'R,6'R,7'S)-6-DEOXY-6-(4',7'-DIBENZYLOXYMETHYL-5',6'-DIHYDROXY-5',6'-O-METHYLETHYLIDENE-1',3'-DIAZEPAN-2'-YL)-IMINO-2,3,4-TRI-O-BENZYL-D-GLUCO
SpectraBase Compound ID 3rsPO4S0hDX
InChI InChI=1S/C52H61N3O9/c1-52(2)63-45-42(35-57-30-37-19-9-4-10-20-37)54-51(55-43(46(45)64-52)36-58-31-38-21-11-5-12-22-38)53-29-44-47(59-32-39-23-13-6-14-24-39)48(60-33-40-25-15-7-16-26-40)49(50(56-3)62-44)61-34-41-27-17-8-18-28-41/h4-28,42-50H,29-36H2,1-3H3,(H2,53,54,55)/t42-,43-,44+,45+,46+,47+,48-,49+,50-/m0/s1
InChIKey GUDIIYSJOZUCGS-FPGGMQSMSA-N
Mol Weight 872.1 g/mol
Molecular Formula C52H61N3O9
Exact Mass 871.440781 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EeHo8Ix6Scq
Name #57;METHYL-(4'S,5'R,6'R,7'S)-6-DEOXY-6-(4',7'-DIBENZYLOXYMETHYL-5',6'-DIHYDROXY-5',6'-O-METHYLETHYLIDENE-1',3'-DIAZEPAN-2'-YL)-IMINO-2,3,4-TRI-O-BENZYL-D-GLUCO
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C52H61N3O9
InChI InChI=1S/C52H61N3O9/c1-52(2)63-45-42(35-57-30-37-19-9-4-10-20-37)54-51(55-43(46(45)64-52)36-58-31-38-21-11-5-12-22-38)53-29-44-47(59-32-39-23-13-6-14-24-39)48(60-33-40-25-15-7-16-26-40)49(50(56-3)62-44)61-34-41-27-17-8-18-28-41/h4-28,42-50H,29-36H2,1-3H3,(H2,53,54,55)/t42-,43-,44+,45+,46+,47+,48-,49+,50-/m0/s1
InChIKey GUDIIYSJOZUCGS-FPGGMQSMSA-N
Literature Reference Author Y.L.MERRER,L.GAUZY,C.GRAVIER-PELLETIER,J.C.DEPEZAY
Literature Reference Citation BIOORG.MED.CHEM.,8,307(2000)
Literature Reference DOI 10.1016/S0968-0896(99)00294-1
Molecular Weight 872.071 g/mol
Solvent CDCl3
Source File Reference UWVN20128