![METHYL-6-THIO-6-[2'-(SODIUM-PROPANOATE)]-BETA-D-GALACTOPYRANOSYL-(1,4)-BETA-D-GLUCOPYRANOSIDE](/api/spectrum/43vbofCQeFx/structure.png?h=300&w=458 "METHYL-6-THIO-6-[2'-(SODIUM-PROPANOATE)]-BETA-D-GALACTOPYRANOSYL-(1,4)-BETA-D-GLUCOPYRANOSIDE")
| SpectraBase Compound ID | APmTTF5GOQe |
|---|---|
| InChI | InChI=1S/2C16H28O12S.2Na/c2*1-5(14(23)24)29-4-7-8(18)9(19)11(21)16(27-7)28-13-6(3-17)26-15(25-2)12(22)10(13)20;;/h2*5-13,15-22H,3-4H2,1-2H3,(H,23,24);;/q;;2*+1/p-2/t5-,6+,7+,8-,9-,10+,11+,12+,13+,15+,16-;5-,6-,7-,8+,9+,10-,11-,12-,13-,15-,16+;;/m01../s1 |
| InChIKey | AWKBJLRBSGFGIO-AOWDDSAFSA-L |
| Mol Weight | 932.86 g/mol |
| Molecular Formula | C32H54Na2O24S2 |
| Exact Mass | 932.224184 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 43vbofCQeFx |
|---|---|
| Name | METHYL-6-THIO-6-[2'-(SODIUM-PROPANOATE)]-BETA-D-GALACTOPYRANOSYL-(1,4)-BETA-D-GLUCOPYRANOSIDE |
| Compound Number | 31 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C32H54Na2O24S2 |
| InChI | InChI=1S/2C16H28O12S.2Na/c2*1-5(14(23)24)29-4-7-8(18)9(19)11(21)16(27-7)28-13-6(3-17)26-15(25-2)12(22)10(13)20;;/h2*5-13,15-22H,3-4H2,1-2H3,(H,23,24);;/q;;2*+1/p-2/t5-,6+,7+,8-,9-,10+,11+,12+,13+,15+,16-;5-,6-,7-,8+,9+,10-,11-,12-,13-,15-,16+;;/m01../s1 |
| InChIKey | AWKBJLRBSGFGIO-AOWDDSAFSA-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 | 932.866 g/mol |
| Sample ID | 45098 |
| Solvent | D2O |