John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=KxoQvTNcL1g SpectraBase Spectrum ID=7EqgWg3NUTU

(accessed ).
#C4;1,4-BIS-[3-[4-[2-ACETAMIDO-2-DEOXY-4-O-(2-ACETAMIDO-2-DEOXY-BETA-D-GLUCOPYRANOSYL)-BETA-D-GLUCOPYRANOSYL-OXYMETHYL]-1H-1,2,3-TRIAZOLE-1-YL]-PROPYLOX
SpectraBase Compound ID KxoQvTNcL1g
InChI InChI=1S/C48H80N10O24/c1-23(63)49-33-39(69)37(67)29(17-59)77-47(33)81-43-31(19-61)79-45(35(41(43)71)51-25(3)65)75-21-27-15-57(55-53-27)9-7-13-73-11-5-6-12-74-14-8-10-58-16-28(54-56-58)22-76-46-36(52-26(4)66)42(72)44(32(20-62)80-46)82-48-34(50-24(2)64)40(70)38(68)30(18-60)78-48/h15-16,29-48,59-62,67-72H,5-14,17-22H2,1-4H3,(H,49,63)(H,50,64)(H,51,65)(H,52,66)/t29-,30-,31-,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47+,48+/m1/s1
InChIKey OEUXJEILKMKZRC-MRARRXCMSA-N
Mol Weight 1181.2 g/mol
Molecular Formula C48H80N10O24
Exact Mass 1180.534694 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7EqgWg3NUTU
Name #C4;1,4-BIS-[3-[4-[2-ACETAMIDO-2-DEOXY-4-O-(2-ACETAMIDO-2-DEOXY-BETA-D-GLUCOPYRANOSYL)-BETA-D-GLUCOPYRANOSYL-OXYMETHYL]-1H-1,2,3-TRIAZOLE-1-YL]-PROPYLOX
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C48H80N10O24
InChI InChI=1S/C48H80N10O24/c1-23(63)49-33-39(69)37(67)29(17-59)77-47(33)81-43-31(19-61)79-45(35(41(43)71)51-25(3)65)75-21-27-15-57(55-53-27)9-7-13-73-11-5-6-12-74-14-8-10-58-16-28(54-56-58)22-76-46-36(52-26(4)66)42(72)44(32(20-62)80-46)82-48-34(50-24(2)64)40(70)38(68)30(18-60)78-48/h15-16,29-48,59-62,67-72H,5-14,17-22H2,1-4H3,(H,49,63)(H,50,64)(H,51,65)(H,52,66)/t29-,30-,31-,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47+,48+/m1/s1
InChIKey OEUXJEILKMKZRC-MRARRXCMSA-N
Literature Reference Author H.S.G.BECKMANN,H.M.MOELLER,V.WITTMANN
Literature Reference Citation BEIL.J.ORG.CHEM.,8,819(2012)
Literature Reference DOI 10.3762/bjoc.8.91
Molecular Weight 1181.216 g/mol
Solvent D2O
Source File Reference UWIR10912
SpectraBase Batch ID ERhS8glyoKQ