| SpectraBase Compound ID | 2xATAPRcZrq |
|---|---|
| InChI | InChI=1S/C31H60O9Si5/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/h17-21,26,28-31H,22H2,1-16H3/b20-18+/t26-,28-,29+,30-,31-/m1/s1 |
| InChIKey | AUZDOIZRFQXTJI-LKVNNCKWSA-N |
| Mol Weight | 717.2 g/mol |
| Molecular Formula | C31H60O9Si5 |
| Exact Mass | 716.308366 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9Khu3FI2TkI |
|---|---|
| Name | 2-.beta.-D Glucosyloxy-4-methoxycinnamic acid, 5tms derivative |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 716.308366178 u |
| Formula | C31H60O9Si5 |
| InChI | InChI=1S/C31H60O9Si5/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/h17-21,26,28-31H,22H2,1-16H3/b20-18+/t26-,28-,29+,30-,31-/m1/s1 |
| InChIKey | AUZDOIZRFQXTJI-LKVNNCKWSA-N |
| Molecular Weight | 717.237 g/mol |
| SMILES | C(\C=C\C1=C(C=C(C=C1)OC)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])(=O)O[Si](C)(C)C |