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

View entire compound with spectra: 1 NMR

METHYL-6-THIO-6-[2'-(SODIUM-BUTANOATE)]-BETA-D-GLUCOPYRANOSIDE
SpectraBase Compound ID JJih6Js60fh
InChI InChI=1S/2C11H20O7S.2Na/c2*1-3-6(10(15)16)19-4-5-7(12)8(13)9(14)11(17-2)18-5;;/h2*5-9,11-14H,3-4H2,1-2H3,(H,15,16);;/q;;2*+1/p-2/t5-,6+,7-,8+,9-,11-;5-,6-,7-,8+,9-,11-;;/m11../s1
InChIKey CREQUWCGFRDNLM-DQNUZGOMSA-L
Mol Weight 636.63 g/mol
Molecular Formula C22H38Na2O14S2
Exact Mass 636.149837 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FnNnpOON5qW
Name METHYL-6-THIO-6-[2'-(SODIUM-BUTANOATE)]-BETA-D-GLUCOPYRANOSIDE
Compound Number 32
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H38Na2O14S2
InChI InChI=1S/2C11H20O7S.2Na/c2*1-3-6(10(15)16)19-4-5-7(12)8(13)9(14)11(17-2)18-5;;/h2*5-9,11-14H,3-4H2,1-2H3,(H,15,16);;/q;;2*+1/p-2/t5-,6+,7-,8+,9-,11-;5-,6-,7-,8+,9-,11-;;/m11../s1
InChIKey CREQUWCGFRDNLM-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 636.635 g/mol
Sample ID 45099
Solvent D2O