| SpectraBase Compound ID | HsuKqfbJSUT |
|---|---|
| InChI | InChI=1S/C18H31NO13S.Na/c1-5(14-12(26)11(25)13(27)16(28)31-14)33-18(17(29)30)3-7(22)9(19-6(2)21)15(32-18)10(24)8(23)4-20;/h5,7-16,20,22-28H,3-4H2,1-2H3,(H,19,21)(H,29,30);/q;+1/p-1/t5?,7-,8+,9+,10+,11-,12+,13+,14+,15+,16+,18-;/m0./s1 |
| InChIKey | JEMFELUWHNIUOS-ODQKYUDRSA-M |
| Mol Weight | 523.48 g/mol |
| Molecular Formula | C18H30NNaO13S |
| Exact Mass | 523.133555 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | C7W8qx98uEb |
|---|---|
| Name | SODIUM-SALT-OF-5-ACETAMIDO-3,5-DIDEOXY-2-THIO-ALPHA-D-GLYCERO-D-GALACTO-NONULOPYRANOSYLONIC-ACID-(2-S-6)-7-DEOXY-BETA-D-GLYCERO-D-GAL |
| Compound Number | 22A-BETA |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C18H30NNaO13S |
| InChI | InChI=1S/C18H31NO13S.Na/c1-5(14-12(26)11(25)13(27)16(28)31-14)33-18(17(29)30)3-7(22)9(19-6(2)21)15(32-18)10(24)8(23)4-20;/h5,7-16,20,22-28H,3-4H2,1-2H3,(H,19,21)(H,29,30);/q;+1/p-1/t5?,7-,8+,9+,10+,11-,12+,13+,14+,15+,16+,18-;/m0./s1 |
| InChIKey | JEMFELUWHNIUOS-ODQKYUDRSA-M |
| Literature Reference Author | S.SABESAN,S.NEIRA,F.DAVIDSON,J.O.DUUS,K.BOCK |
| Literature Reference Citation | J.AM.CHEM.SOC.,116,1616(1994) |
| Literature Reference DOI | 10.1021/ja00084a003 |
| Molecular Weight | 523.485 g/mol |
| Solvent | D2O |
| Source File Reference | UWRU6997 |