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#6;METHYL-4,6-O-BENZYLIDENE-2,3-DIDEOXY-2,3-[N-(N',N''-BIS-(2,3,4,6-TETRA-O-ACETYL-BETA-D-GLUCOPYRANOSYL)-CARBOXIMIDAMIDO)-EPIMINO]-ALPHA-D-ALLOPYRANOSIDE
SpectraBase Compound ID 7PUQSwA38yW
InChI InChI=1S/C43H55N3O22/c1-18(47)56-15-28-33(59-20(3)49)35(61-22(5)51)37(63-24(7)53)39(65-28)44-43(46-30-31(46)42(55-9)67-27-17-58-41(68-32(27)30)26-13-11-10-12-14-26)45-40-38(64-25(8)54)36(62-23(6)52)34(60-21(4)50)29(66-40)16-57-19(2)48/h10-14,27-42H,15-17H2,1-9H3,(H,44,45)/t27-,28+,29+,30+,31-,32-,33+,34+,35-,36-,37+,38+,39+,40+,41-,42+,46?/m0/s1
InChIKey RKTYSPKCBYVKEV-NGGSXGHFSA-N
Mol Weight 965.9 g/mol
Molecular Formula C43H55N3O22
Exact Mass 965.32772 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LpRinte3hKr
Name #6;METHYL-4,6-O-BENZYLIDENE-2,3-DIDEOXY-2,3-[N-(N',N''-BIS-(2,3,4,6-TETRA-O-ACETYL-BETA-D-GLUCOPYRANOSYL)-CARBOXIMIDAMIDO)-EPIMINO]-ALPHA-D-ALLOPYRANOSIDE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C43H55N3O22
InChI InChI=1S/C43H55N3O22/c1-18(47)56-15-28-33(59-20(3)49)35(61-22(5)51)37(63-24(7)53)39(65-28)44-43(46-30-31(46)42(55-9)67-27-17-58-41(68-32(27)30)26-13-11-10-12-14-26)45-40-38(64-25(8)54)36(62-23(6)52)34(60-21(4)50)29(66-40)16-57-19(2)48/h10-14,27-42H,15-17H2,1-9H3,(H,44,45)/t27-,28+,29+,30+,31-,32-,33+,34+,35-,36-,37+,38+,39+,40+,41-,42+,46?/m0/s1
InChIKey RKTYSPKCBYVKEV-NGGSXGHFSA-N
Literature Reference Author G.TOTH,T.GATI,I.PINTER,J.KOVACS,R.HAESSNER
Literature Reference Citation MAGN.RES.CHEM.,39,283(2001)
Literature Reference DOI 10.1002/mrc.835
Molecular Weight 965.917 g/mol
Solvent CDCl3
Source File Reference UWSI24908