| SpectraBase Compound ID | 6NAFl0SKSu9 |
|---|---|
| InChI | InChI=1S/C31H62O9Si5/c1-33-24-19-17-23(18-20-27(32)37-42(5,6)7)25(21-24)35-31-30(40-45(14,15)16)29(39-44(11,12)13)28(38-43(8,9)10)26(36-31)22-34-41(2,3)4/h17,19,21,26,28-31H,18,20,22H2,1-16H3/t26-,28+,29+,30-,31-/m1/s1 |
| InChIKey | LHUQDNLEOMQKIL-HPLFBIAMSA-N |
| Mol Weight | 719.3 g/mol |
| Molecular Formula | C31H62O9Si5 |
| Exact Mass | 718.324016 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HzglqXQ20vG |
|---|---|
| Name | 2-(.beta.-D-Glucopyranosyloxy)-4-methoxybenzenepropanoic acid, 5tms derivative |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 718.324016242 u |
| Formula | C31H62O9Si5 |
| InChI | InChI=1S/C31H62O9Si5/c1-33-24-19-17-23(18-20-27(32)37-42(5,6)7)25(21-24)35-31-30(40-45(14,15)16)29(39-44(11,12)13)28(38-43(8,9)10)26(36-31)22-34-41(2,3)4/h17,19,21,26,28-31H,18,20,22H2,1-16H3/t26-,28+,29+,30-,31-/m1/s1 |
| InChIKey | LHUQDNLEOMQKIL-HPLFBIAMSA-N |
| Molecular Weight | 719.253 g/mol |
| SMILES | C(CCC1=C(C=C(C=C1)OC)O[C@@]1(O[C@](CO[Si](C)(C)C)([C@@]([C@@]([C@]1(O[Si](C)(C)C)[H])(O[Si](C)(C)C)[H])(O[Si](C)(C)C)[H])[H])[H])(=O)O[Si](C)(C)C |