John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=1v6JP6AvhQL SpectraBase Spectrum ID=1jkhUrUfLGC

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METHYL-O-beta-D-GLUCOPYRANOSYL-URONIC-ACID-O-2-ACETAMIDO-2-DEOXY-4-O-SULFO-beta-D-GALAKTOPYRANOSYL-beta-D-GLUCOPYRANOSYL-URONIC-ACID-TRISODIUM-SALT, #30
SpectraBase Compound ID 1v6JP6AvhQL
InChI InChI=1S/C21H33NO21S.3Na/c1-4(24)22-6-13(39-21-10(28)7(25)8(26)15(41-21)17(30)31)12(43-44(34,35)36)5(3-23)38-19(6)40-14-9(27)11(29)20(37-2)42-16(14)18(32)33;;;/h5-16,19-21,23,25-29H,3H2,1-2H3,(H,22,24)(H,30,31)(H,32,33)(H,34,35,36);;;/q;3*+1/p-3/t5-,6-,7-,8-,9-,10+,11-,12+,13-,14+,15-,16+,19+,20-,21+;;;/m0.../s1
InChIKey ROBRSIGRJRHGLE-PMHRHVEMSA-K
Mol Weight 733.48630785 g/mol
Molecular Formula C21H30NNa3O21S
Exact Mass 733.072413 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1jkhUrUfLGC
Name METHYL-O-beta-D-GLUCOPYRANOSYL-URONIC-ACID-O-2-ACETAMIDO-2-DEOXY-4-O-SULFO-beta-D-GALAKTOPYRANOSYL-beta-D-GLUCOPYRANOSYL-URONIC-ACID-TRISODIUM-SALT, #30
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InChI InChI=1S/C21H33NO21S.3Na/c1-4(24)22-6-13(39-21-10(28)7(25)8(26)15(41-21)17(30)31)12(43-44(34,35)36)5(3-23)38-19(6)40-14-9(27)11(29)20(37-2)42-16(14)18(32)33;;;/h5-16,19-21,23,25-29H,3H2,1-2H3,(H,22,24)(H,30,31)(H,32,33)(H,34,35,36);;;/q;3*+1/p-3/t5-,6-,7-,8-,9-,10+,11-,12+,13-,14+,15-,16+,19+,20-,21+;;;/m0.../s1
InChIKey ROBRSIGRJRHGLE-PMHRHVEMSA-K
Literature Reference C.COUTANT,J.C.JACQUINET J.CHEM.SOC.PERKIN-1,1573(1995)
Solvent Deuterium oxide
SpectraBase Batch ID Dz5YWTapiaQ