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METHYL-6-THIO-6-[2'-(SODIUM-PROPANOATE)]-BETA-D-GLUCOPYRANOSIDE

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METHYL-6-THIO-6-[2'-(SODIUM-PROPANOATE)]-BETA-D-GLUCOPYRANOSIDE
SpectraBase Compound ID JnEiLDByuoa
InChI InChI=1S/2C10H18O7S.2Na/c2*1-4(9(14)15)18-3-5-6(11)7(12)8(13)10(16-2)17-5;;/h2*4-8,10-13H,3H2,1-2H3,(H,14,15);;/q;;2*+1/p-2/t2*4-,5+,6+,7-,8+,10+;;/m10../s1
InChIKey FTQWTFIWSRFNOR-OGXFXXNSSA-L
Mol Weight 608.57753856 g/mol
Molecular Formula C20H34Na2O14S2
Exact Mass 608.118537 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Af52TKR3JIO
Name METHYL-6-THIO-6-[2'-(SODIUM-PROPANOATE)]-BETA-D-GLUCOPYRANOSIDE
Compound Number 29
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H34Na2O14S2
InChI InChI=1S/2C10H18O7S.2Na/c2*1-4(9(14)15)18-3-5-6(11)7(12)8(13)10(16-2)17-5;;/h2*4-8,10-13H,3H2,1-2H3,(H,14,15);;/q;;2*+1/p-2/t2*4-,5+,6+,7-,8+,10+;;/m10../s1
InChIKey FTQWTFIWSRFNOR-OGXFXXNSSA-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 608.581 g/mol
Sample ID 45096
Solvent D2O