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5-[(1S)-1-AMINO-2-METHYLPROPYL]-3-C-(2,3,4,6-TETRA-O-BENZOYL-BETA-D-GLUCOPYRANOSYL)-1,2,4-OXADIAZOLE
SpectraBase Compound ID 31UmgHhBpKQ
InChI InChI=1S/C40H37N3O10/c1-24(2)30(41)36-42-35(43-53-36)34-33(52-40(47)28-21-13-6-14-22-28)32(51-39(46)27-19-11-5-12-20-27)31(50-38(45)26-17-9-4-10-18-26)29(49-34)23-48-37(44)25-15-7-3-8-16-25/h3-22,24,29-34H,23,41H2,1-2H3/t29-,30-,31-,32+,33-,34-/m0/s1
InChIKey IALSVTBIIUXUDQ-ZGSWEVDFSA-N
Mol Weight 719.7 g/mol
Molecular Formula C40H37N3O10
Exact Mass 719.247894 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5VYApNMlyL6
Name 5-[(1S)-1-AMINO-2-METHYLPROPYL]-3-C-(2,3,4,6-TETRA-O-BENZOYL-BETA-D-GLUCOPYRANOSYL)-1,2,4-OXADIAZOLE
Compound Number 8N
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C40H37N3O10
InChI InChI=1S/C40H37N3O10/c1-24(2)30(41)36-42-35(43-53-36)34-33(52-40(47)28-21-13-6-14-22-28)32(51-39(46)27-19-11-5-12-20-27)31(50-38(45)26-17-9-4-10-18-26)29(49-34)23-48-37(44)25-15-7-3-8-16-25/h3-22,24,29-34H,23,41H2,1-2H3/t29-,30-,31-,32+,33-,34-/m0/s1
InChIKey IALSVTBIIUXUDQ-ZGSWEVDFSA-N
Literature Reference Author M.BENLTIFA,S.VIDAL,B.FENET,M.MSADDEK,P.G.GOEKJIAN,J.P.PRALY, A.BRUNYANSZKI,T.DOCS
Literature Reference Citation EUR.J.ORG.CHEM.,4242(2006)
Molecular Weight 719.748 g/mol
Sample ID 32884
Solvent CDCl3