![1H,3H-Pyrano[3,4-C]pyran-5-carboxylic acid, 8-(.beta.-D-glucopyranosyloxy)-4,4A,8,8A-tetrahydro-3-ethoxy-1-methyl-, methyl ester, 3tms derivative](/api/spectrum/383NZ0fbxkF/structure.png?h=300&w=458 "1H,3H-Pyrano[3,4-C]pyran-5-carboxylic acid, 8-(.beta.-D-glucopyranosyloxy)-4,4A,8,8A-tetrahydro-3-ethoxy-1-methyl-, methyl ester, 3tms derivative")
| SpectraBase Compound ID | 1mbsPNHwiSR |
|---|---|
| InChI | InChI=1S/C31H62O11Si4/c1-16-34-24-17-21-22(29(32)33-3)18-35-30(25(21)20(2)37-24)39-31-28(42-46(13,14)15)27(41-45(10,11)12)26(40-44(7,8)9)23(38-31)19-36-43(4,5)6/h18,20-21,23-28,30-31H,16-17,19H2,1-15H3/t20?,21?,23-,24?,25?,26-,27+,28-,30?,31+/m1/s1 |
| InChIKey | XPSGFCHEYXVNFJ-YVCMTUSISA-N |
| Mol Weight | 723.2 g/mol |
| Molecular Formula | C31H62O11Si4 |
| Exact Mass | 722.336919 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 383NZ0fbxkF |
|---|---|
| Name | 1H,3H-Pyrano[3,4-C]pyran-5-carboxylic acid, 8-(.beta.-D-glucopyranosyloxy)-4,4A,8,8A-tetrahydro-3-ethoxy-1-methyl-, methyl ester, 3tms derivative |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 722.336918945 u |
| Formula | C31H62O11Si4 |
| InChI | InChI=1S/C31H62O11Si4/c1-16-34-24-17-21-22(29(32)33-3)18-35-30(25(21)20(2)37-24)39-31-28(42-46(13,14)15)27(41-45(10,11)12)26(40-44(7,8)9)23(38-31)19-36-43(4,5)6/h18,20-21,23-28,30-31H,16-17,19H2,1-15H3/t20?,21?,23-,24?,25?,26-,27+,28-,30?,31+/m1/s1 |
| InChIKey | XPSGFCHEYXVNFJ-YVCMTUSISA-N |
| Molecular Weight | 723.166 g/mol |
| SMILES | C1(C2C(CC(O1)OCC)C(=COC2O[C@]1([C@](O[Si](C)(C)C)([C@@](O[Si](C)(C)C)([C@](O[Si](C)(C)C)([C@](O1)(CO[Si](C)(C)C)[H])[H])[H])[H])[H])C(=O)OC)C |