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(4S,5R,6R,7S)-4,7-DIBENZYLOXYMETHYL-5,6-DIHYDROXY-5,6-O-METHYLETHYLIDENE-2-(N-BUTYL)-IMINO-1,3-DIAZEPANE
SpectraBase Compound ID HkIgvUp2voU
InChI InChI=1S/C28H39N3O4/c1-4-5-16-29-27-30-23(19-32-17-21-12-8-6-9-13-21)25-26(35-28(2,3)34-25)24(31-27)20-33-18-22-14-10-7-11-15-22/h6-15,23-26H,4-5,16-20H2,1-3H3,(H2,29,30,31)/t23-,24-,25+,26+/m0/s1
InChIKey HKYOGNUZQACRRV-QEGGNFSNSA-N
Mol Weight 481.6 g/mol
Molecular Formula C28H39N3O4
Exact Mass 481.294057 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4aLgluzexLl
Name (4S,5R,6R,7S)-4,7-DIBENZYLOXYMETHYL-5,6-DIHYDROXY-5,6-O-METHYLETHYLIDENE-2-(N-BUTYL)-IMINO-1,3-DIAZEPANE
Compound Number 55
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H39N3O4
InChI InChI=1S/C28H39N3O4/c1-4-5-16-29-27-30-23(19-32-17-21-12-8-6-9-13-21)25-26(35-28(2,3)34-25)24(31-27)20-33-18-22-14-10-7-11-15-22/h6-15,23-26H,4-5,16-20H2,1-3H3,(H2,29,30,31)/t23-,24-,25+,26+/m0/s1
InChIKey HKYOGNUZQACRRV-QEGGNFSNSA-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 481.635 g/mol
Solvent CDCl3
Source File Reference UWVN20126