| SpectraBase Compound ID | 7bz4L9fwVWp |
|---|---|
| InChI | InChI=1S/C28H58O7Si5/c1-36(2,3)29-20-22-16-18-23(19-17-22)31-28-27(35-40(13,14)15)26(34-39(10,11)12)25(33-38(7,8)9)24(32-28)21-30-37(4,5)6/h16-19,24-28H,20-21H2,1-15H3/t24-,25+,26+,27-,28-/m1/s1 |
| InChIKey | SHMAIQMZSPETCV-QBROEMLDSA-N |
| Mol Weight | 647.2 g/mol |
| Molecular Formula | C28H58O7Si5 |
| Exact Mass | 646.302887 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ECT6vXFWo3T |
|---|---|
| Name | Gastrodin, 5tms |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 646.302886876 u |
| Formula | C28H58O7Si5 |
| InChI | InChI=1S/C28H58O7Si5/c1-36(2,3)29-20-22-16-18-23(19-17-22)31-28-27(35-40(13,14)15)26(34-39(10,11)12)25(33-38(7,8)9)24(32-28)21-30-37(4,5)6/h16-19,24-28H,20-21H2,1-15H3/t24-,25+,26+,27-,28-/m1/s1 |
| InChIKey | SHMAIQMZSPETCV-QBROEMLDSA-N |
| SMILES | C[Si](C)(C)OC[C@]1(O[C@@](OC2=CC=C(C=C2)CO[Si](C)(C)C)([C@](O[Si](C)(C)C)([C@@](O[Si](C)(C)C)([C@]1(O[Si](C)(C)C)[H])[H])[H])[H])[H] |