![METHYL-6-THIO-6-[2'-(SODIUM-2'-PHENYLACETATE)]-BETA-D-GALACTOPYRANOSYL-(1,4)-BETA-D-GLUCOPYRANOSIDE](/api/spectrum/1YxukrVQKg2/structure.png?h=300&w=458 "METHYL-6-THIO-6-[2'-(SODIUM-2'-PHENYLACETATE)]-BETA-D-GALACTOPYRANOSYL-(1,4)-BETA-D-GLUCOPYRANOSIDE")
| SpectraBase Compound ID | 6W9wDAcZhV |
|---|---|
| InChI | InChI=1S/2C21H30O12S.2Na/c2*1-30-20-16(27)14(25)17(10(7-22)31-20)33-21-15(26)13(24)12(23)11(32-21)8-34-18(19(28)29)9-5-3-2-4-6-9;;/h2*2-6,10-18,20-27H,7-8H2,1H3,(H,28,29);;/q;;2*+1/p-2/t10-,11-,12+,13+,14-,15-,16-,17-,18+,20-,21+;10-,11-,12+,13+,14-,15-,16-,17-,18-,20-,21+;;/m11../s1 |
| InChIKey | RWIRPMKIBKNZOK-BAJJCNPTSA-L |
| Mol Weight | 1057.00153856 g/mol |
| Molecular Formula | C42H58Na2O24S2 |
| Exact Mass | 1056.255484 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1YxukrVQKg2 |
|---|---|
| Name | METHYL-6-THIO-6-[2'-(SODIUM-2'-PHENYLACETATE)]-BETA-D-GALACTOPYRANOSYL-(1,4)-BETA-D-GLUCOPYRANOSIDE |
| Compound Number | 37 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H58Na2O24S2 |
| InChI | InChI=1S/2C21H30O12S.2Na/c2*1-30-20-16(27)14(25)17(10(7-22)31-20)33-21-15(26)13(24)12(23)11(32-21)8-34-18(19(28)29)9-5-3-2-4-6-9;;/h2*2-6,10-18,20-27H,7-8H2,1H3,(H,28,29);;/q;;2*+1/p-2/t10-,11-,12+,13+,14-,15-,16-,17-,18+,20-,21+;10-,11-,12+,13+,14-,15-,16-,17-,18-,20-,21+;;/m11../s1 |
| InChIKey | RWIRPMKIBKNZOK-BAJJCNPTSA-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 | 1057.008 g/mol |
| Sample ID | 45104 |
| Solvent | D2O |