![BENZYL-(6S)-[6-DEUTERIO]-6-O-SULFO-BETA-D-GLUCOPYRANOSIDE-SODIUM-SALT](/api/spectrum/5IS86hT3kmW/structure.png?h=300&w=458 "BENZYL-(6S)-[6-DEUTERIO]-6-O-SULFO-BETA-D-GLUCOPYRANOSIDE-SODIUM-SALT")
| SpectraBase Compound ID | EmyafUy7xem |
|---|---|
| InChI | InChI=1S/C13H18O9S.Na/c14-10-9(7-21-23(17,18)19)22-13(12(16)11(10)15)20-6-8-4-2-1-3-5-8;/h1-5,9-16H,6-7H2,(H,17,18,19);/q;+1/p-1/t9-,10-,11+,12-,13-;/m1./s1/i7D;/t7?,9-,10-,11+,12-,13-; |
| InChIKey | ZUQMTEBKWXPAHJ-YEPWATGWSA-M |
| Mol Weight | 373.33 g/mol |
| Molecular Formula | C13H162HNaO9S |
| Exact Mass | 373.055374 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5IS86hT3kmW |
|---|---|
| Name | BENZYL-(6S)-[6-DEUTERIO]-6-O-SULFO-BETA-D-GLUCOPYRANOSIDE-SODIUM-SALT |
| CAS Registry Number | 123641-93-0 |
| Compound Number | 19 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C13H162HNaO9S |
| InChI | InChI=1S/C13H18O9S.Na/c14-10-9(7-21-23(17,18)19)22-13(12(16)11(10)15)20-6-8-4-2-1-3-5-8;/h1-5,9-16H,6-7H2,(H,17,18,19);/q;+1/p-1/t9-,10-,11+,12-,13-;/m1./s1/i7D;/t7?,9-,10-,11+,12-,13-; |
| InChIKey | ZUQMTEBKWXPAHJ-YEPWATGWSA-M |
| Literature Reference Author | B.MEYER,R.STUIKE-PRILL |
| Literature Reference Citation | J.ORG.CHEM.,55,902(1990) |
| Literature Reference DOI | 10.1021/jo00290a020 |
| Molecular Weight | 373.329 g/mol |
| Solvent | D2O |
| Source File Reference | UWCS11984 |