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METHYL-6-THIO-6-[2'-(SODIUM-4'-HYDROXY-BUTANOATE)]-BETA-D-GLUCOPYRANOSIDE
SpectraBase Compound ID DP2Jlx8vdGO
InChI InChI=1S/2C11H20O8S.2Na/c2*1-18-11-9(15)8(14)7(13)5(19-11)4-20-6(2-3-12)10(16)17;;/h2*5-9,11-15H,2-4H2,1H3,(H,16,17);;/q;;2*+1/p-2/t5-,6+,7-,8+,9-,11-;5-,6-,7-,8+,9-,11-;;/m11../s1
InChIKey NLUUNLBAAZRPKI-DQNUZGOMSA-L
Mol Weight 668.63 g/mol
Molecular Formula C22H38Na2O16S2
Exact Mass 668.139666 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BqsbqZcyHrj
Name METHYL-6-THIO-6-[2'-(SODIUM-4'-HYDROXY-BUTANOATE)]-BETA-D-GLUCOPYRANOSIDE
Compound Number 38
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H38Na2O16S2
InChI InChI=1S/2C11H20O8S.2Na/c2*1-18-11-9(15)8(14)7(13)5(19-11)4-20-6(2-3-12)10(16)17;;/h2*5-9,11-15H,2-4H2,1H3,(H,16,17);;/q;;2*+1/p-2/t5-,6+,7-,8+,9-,11-;5-,6-,7-,8+,9-,11-;;/m11../s1
InChIKey NLUUNLBAAZRPKI-DQNUZGOMSA-L
Literature Reference Author A.FAZLI,S.J.BRADLEY,M.J.KIEFEL,C.JOLLY,I.H.HOLMES,M.V.ITZSTE IN
Literature Reference Citation J.MED.CHEM.,44,3292(2001)
Literature Reference DOI 10.1021/jm0100887
Molecular Weight 668.634 g/mol
Sample ID 45105
Solvent D2O