![METHYL-6-THIO-6-[2'-(SODIUM-PROPANOATE)]-BETA-D-GALACTOPYRANOSYL-(1,4)-BETA-D-GLUCOPYRANOSIDE](/api/spectrum/2i9s7Ebn2NS/structure.png?h=300&w=458 "METHYL-6-THIO-6-[2'-(SODIUM-PROPANOATE)]-BETA-D-GALACTOPYRANOSYL-(1,4)-BETA-D-GLUCOPYRANOSIDE")
| SpectraBase Compound ID | DWETzjd2G39 |
|---|---|
| InChI | InChI=1S/2C17H30O12S.2Na/c2*1-3-8(15(24)25)30-5-7-9(19)10(20)12(22)17(28-7)29-14-6(4-18)27-16(26-2)13(23)11(14)21;;/h2*6-14,16-23H,3-5H2,1-2H3,(H,24,25);;/q;;2*+1/p-2/t6-,7-,8+,9+,10+,11-,12-,13-,14-,16-,17+;6-,7-,8-,9+,10+,11-,12-,13-,14-,16-,17+;;/m11../s1 |
| InChIKey | AWJHHVALLNJZAF-FMBOTASESA-L |
| Mol Weight | 960.91 g/mol |
| Molecular Formula | C34H58Na2O24S2 |
| Exact Mass | 960.255484 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2i9s7Ebn2NS |
|---|---|
| Name | METHYL-6-THIO-6-[2'-(SODIUM-PROPANOATE)]-BETA-D-GALACTOPYRANOSYL-(1,4)-BETA-D-GLUCOPYRANOSIDE |
| Compound Number | 34 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C34H58Na2O24S2 |
| InChI | InChI=1S/2C17H30O12S.2Na/c2*1-3-8(15(24)25)30-5-7-9(19)10(20)12(22)17(28-7)29-14-6(4-18)27-16(26-2)13(23)11(14)21;;/h2*6-14,16-23H,3-5H2,1-2H3,(H,24,25);;/q;;2*+1/p-2/t6-,7-,8+,9+,10+,11-,12-,13-,14-,16-,17+;6-,7-,8-,9+,10+,11-,12-,13-,14-,16-,17+;;/m11../s1 |
| InChIKey | AWJHHVALLNJZAF-FMBOTASESA-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 | 960.920 g/mol |
| Sample ID | 45101 |
| Solvent | D2O |