![Cyclopenta[C]pyran-4-carboxylic acid, 1-(.beta.-D-glucopyranosyloxy)-1,4A,5,6,7,7A-hexahydro-7-methyl-, 5tms derivative](/api/spectrum/5Jp2qKEX4iL/structure.png?h=300&w=458 "Cyclopenta[C]pyran-4-carboxylic acid, 1-(.beta.-D-glucopyranosyloxy)-1,4A,5,6,7,7A-hexahydro-7-methyl-, 5tms derivative")
| SpectraBase Compound ID | LA2ZAXtD84B |
|---|---|
| InChI | InChI=1S/C31H64O9Si5/c1-21-17-18-22-23(29(32)40-45(14,15)16)19-33-30(25(21)22)36-31-28(39-44(11,12)13)27(38-43(8,9)10)26(37-42(5,6)7)24(35-31)20-34-41(2,3)4/h19,21-22,24-28,30-31H,17-18,20H2,1-16H3/t21?,22?,24-,25?,26-,27+,28-,30?,31+/m1/s1 |
| InChIKey | MJKYIAKSYURXHJ-MLOSCURBSA-N |
| Mol Weight | 721.3 g/mol |
| Molecular Formula | C31H64O9Si5 |
| Exact Mass | 720.339666 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5Jp2qKEX4iL |
|---|---|
| Name | Cyclopenta[C]pyran-4-carboxylic acid, 1-(.beta.-D-glucopyranosyloxy)-1,4A,5,6,7,7A-hexahydro-7-methyl-, 5tms derivative |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 720.339666307 u |
| Formula | C31H64O9Si5 |
| InChI | InChI=1S/C31H64O9Si5/c1-21-17-18-22-23(29(32)40-45(14,15)16)19-33-30(25(21)22)36-31-28(39-44(11,12)13)27(38-43(8,9)10)26(37-42(5,6)7)24(35-31)20-34-41(2,3)4/h19,21-22,24-28,30-31H,17-18,20H2,1-16H3/t21?,22?,24-,25?,26-,27+,28-,30?,31+/m1/s1 |
| InChIKey | MJKYIAKSYURXHJ-MLOSCURBSA-N |
| Molecular Weight | 721.269 g/mol |
| SMILES | C1(C2C(C(=CO1)C(=O)O[Si](C)(C)C)CCC2C)O[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] |