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ALPHA-ISOMER
SpectraBase Compound ID 4dD0aOh74J9
InChI InChI=1S/C42H65N3O21/c1-17-14-26(32(40(55)56-17)43-20(4)46)60-30-12-10-23(35(65-30)38(51)52)64-42-34(45-22(6)48)28(16-19(3)58-42)62-31-13-11-24(36(66-31)39(53)54)63-41-33(44-21(5)47)27(15-18(2)57-41)61-29-9-7-8-25(59-29)37(49)50/h17-19,23-36,40-42,55H,7-16H2,1-6H3,(H,43,46)(H,44,47)(H,45,48)(H,49,50)(H,51,52)(H,53,54)/t17-,18+,19+,23+,24+,25+,26+,27-,28-,29+,30-,31-,32-,33+,34+,35+,36+,40+,41-,42-/m0/s1
InChIKey AXQVHFJIGNDLPT-DSFPRUHGSA-N
Mol Weight 948.0 g/mol
Molecular Formula C42H65N3O21
Exact Mass 947.411056 g/mol
Enantiomer InChIKey AXQVHFJIGNDLPT-JPQVFKLTSA-N
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent Unknown
Title Journal or Book Year
Exploiting the carboxylate chemical shift to resolve degenerate resonances in spectra of13C-labelled glycosaminoglycans Magnetic Resonance in Chemistry 2005

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