| SpectraBase Compound ID | 8sdtOHS7xSp |
|---|---|
| InChI | InChI=1S/C30H58O8Si5/c1-39(2,3)32-22-25-27(36-41(7,8)9)28(37-42(10,11)12)29(38-43(13,14)15)30(34-25)33-24-19-16-23(17-20-24)18-21-26(31)35-40(4,5)6/h16-21,25,27-30H,22H2,1-15H3/b21-18+/t25-,27-,28+,29-,30-/m1/s1 |
| InChIKey | ITRMWSPUYJQEPC-HJWROVBXSA-N |
| Mol Weight | 687.2 g/mol |
| Molecular Formula | C30H58O8Si5 |
| Exact Mass | 686.297801 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9FQNCyLN6os |
|---|---|
| Name | Coumaric acid 4-o-.beta.-D-glucopyranoside, 5tms derivative |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 686.297801495 u |
| Formula | C30H58O8Si5 |
| InChI | InChI=1S/C30H58O8Si5/c1-39(2,3)32-22-25-27(36-41(7,8)9)28(37-42(10,11)12)29(38-43(13,14)15)30(34-25)33-24-19-16-23(17-20-24)18-21-26(31)35-40(4,5)6/h16-21,25,27-30H,22H2,1-15H3/b21-18+/t25-,27-,28+,29-,30-/m1/s1 |
| InChIKey | ITRMWSPUYJQEPC-HJWROVBXSA-N |
| SMILES | [C@@]1(OC=2C=CC(=CC2)\C=C\C(O[Si](C)(C)C)=O)([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] |