![METHYL-6-THIO-6-[2'-(SODIUM-2'-PHENYLACETATE)]-BETA-D-GLUCOPYRANOSIDE](/api/spectrum/KXh82b0MmEj/structure.png?h=300&w=458 "METHYL-6-THIO-6-[2'-(SODIUM-2'-PHENYLACETATE)]-BETA-D-GLUCOPYRANOSIDE")
| SpectraBase Compound ID | BgWIYTHEOSM |
|---|---|
| InChI | InChI=1S/2C15H20O7S.2Na/c2*1-21-15-12(18)11(17)10(16)9(22-15)7-23-13(14(19)20)8-5-3-2-4-6-8;;/h2*2-6,9-13,15-18H,7H2,1H3,(H,19,20);;/q;;2*+1/p-2/t9-,10-,11+,12-,13+,15-;9-,10-,11+,12-,13-,15-;;/m11../s1 |
| InChIKey | NENSPFRROSHXQT-CNCGESFOSA-L |
| Mol Weight | 732.72 g/mol |
| Molecular Formula | C30H38Na2O14S2 |
| Exact Mass | 732.149837 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KXh82b0MmEj |
|---|---|
| Name | METHYL-6-THIO-6-[2'-(SODIUM-2'-PHENYLACETATE)]-BETA-D-GLUCOPYRANOSIDE |
| Compound Number | 35 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C30H38Na2O14S2 |
| InChI | InChI=1S/2C15H20O7S.2Na/c2*1-21-15-12(18)11(17)10(16)9(22-15)7-23-13(14(19)20)8-5-3-2-4-6-8;;/h2*2-6,9-13,15-18H,7H2,1H3,(H,19,20);;/q;;2*+1/p-2/t9-,10-,11+,12-,13+,15-;9-,10-,11+,12-,13-,15-;;/m11../s1 |
| InChIKey | NENSPFRROSHXQT-CNCGESFOSA-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 | 732.723 g/mol |
| Sample ID | 45102 |
| Solvent | D2O |