| SpectraBase Compound ID | 7AQ4xTgOfpY |
|---|---|
| InChI | InChI=1S/C31H44O19/c1-10-13(2)29(39)49-26-24(43-17(6)35)22(12-41-15(4)33)48-31(28(26)46-20(9)38)50-30-27(45-19(8)37)25(44-18(7)36)23(42-16(5)34)21(47-30)11-40-14(3)32/h13,21-28,30-31H,10-12H2,1-9H3/t13?,21-,22-,23-,24-,25+,26+,27-,28-,30-,31-/m1/s1 |
| InChIKey | XJUDBCMKIFVDGG-GGCIJRNQSA-N |
| Mol Weight | 720.7 g/mol |
| Molecular Formula | C31H44O19 |
| Exact Mass | 720.247679 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IlOpM0aEcSh |
|---|---|
| Name | .alpha.-D-Glucopyranose, 1-o-(3-o-(2-methylbutanoyl)-.alpha.-D-glucopyranosyl), 7ac derivative |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 720.247679178 u |
| Formula | C31H44O19 |
| InChI | InChI=1S/C31H44O19/c1-10-13(2)29(39)49-26-24(43-17(6)35)22(12-41-15(4)33)48-31(28(26)46-20(9)38)50-30-27(45-19(8)37)25(44-18(7)36)23(42-16(5)34)21(47-30)11-40-14(3)32/h13,21-28,30-31H,10-12H2,1-9H3/t13?,21-,22-,23-,24-,25+,26+,27-,28-,30-,31-/m1/s1 |
| InChIKey | XJUDBCMKIFVDGG-GGCIJRNQSA-N |
| Molecular Weight | 720.674 g/mol |
| SMILES | CC(=O)OC[C@]1(O[C@](O[C@]2(O[C@](COC(C)=O)([C@@](OC(C)=O)([C@](OC(C)=O)([C@]2(OC(C)=O)[H])[H])[H])[H])[H])([C@](OC(C)=O)([C@@](OC(C(C)CC)=O)([C@@]1(OC(C)=O)[H])[H])[H])[H])[H] |