| SpectraBase Compound ID | 89Npk7hdwey |
|---|---|
| InChI | InChI=1S/C34H70O10Si6/c1-45(2,3)37-21-24-19-20-25-26(32(35)44-50(16,17)18)22-36-33(28(24)25)40-34-31(43-49(13,14)15)30(42-48(10,11)12)29(41-47(7,8)9)27(39-34)23-38-46(4,5)6/h19,22,25,27-31,33-34H,20-21,23H2,1-18H3/t25-,27-,28-,29-,30+,31-,33+,34+/m1/s1 |
| InChIKey | IIZMQLHLTNWICX-JSWZDYEVSA-N |
| Mol Weight | 807.4 g/mol |
| Molecular Formula | C34H70O10Si6 |
| Exact Mass | 806.358458 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3t8WloirCT1 |
|---|---|
| Name | Geniposidic acid, 6tms derivative |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 806.358457654 u |
| Formula | C34H70O10Si6 |
| InChI | InChI=1S/C34H70O10Si6/c1-45(2,3)37-21-24-19-20-25-26(32(35)44-50(16,17)18)22-36-33(28(24)25)40-34-31(43-49(13,14)15)30(42-48(10,11)12)29(41-47(7,8)9)27(39-34)23-38-46(4,5)6/h19,22,25,27-31,33-34H,20-21,23H2,1-18H3/t25-,27-,28-,29-,30+,31-,33+,34+/m1/s1 |
| InChIKey | IIZMQLHLTNWICX-JSWZDYEVSA-N |
| Molecular Weight | 807.434 g/mol |
| SMILES | [C@]1([C@]2([C@@](C(=CO1)C(=O)O[Si](C)(C)C)(CC=C2CO[Si](C)(C)C)[H])[H])(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])[H] |