| SpectraBase Compound ID | 7JB3LFfX65X |
|---|---|
| InChI | InChI=1S/C33H68O9Si6/c1-43(2,3)35-24-27-30(40-46(10,11)12)31(41-47(13,14)15)32(42-48(16,17)18)33(37-27)36-26-21-19-20-25(29(26)39-45(7,8)9)22-23-28(34)38-44(4,5)6/h19-21,27,30-33H,22-24H2,1-18H3/t27-,30-,31+,32-,33-/m1/s1 |
| InChIKey | KDTVTVZGQXEZKG-MLQAKRBISA-N |
| Mol Weight | 777.4 g/mol |
| Molecular Formula | C33H68O9Si6 |
| Exact Mass | 776.347893 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | EbhqivzIGp8 |
|---|---|
| Name | Benzenepropanoic acid, 3-(.beta.-D-glucopyranosyloxy)-, 2-hydroxy, 6tms derivative |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 776.347892971 u |
| Formula | C33H68O9Si6 |
| InChI | InChI=1S/C33H68O9Si6/c1-43(2,3)35-24-27-30(40-46(10,11)12)31(41-47(13,14)15)32(42-48(16,17)18)33(37-27)36-26-21-19-20-25(29(26)39-45(7,8)9)22-23-28(34)38-44(4,5)6/h19-21,27,30-33H,22-24H2,1-18H3/t27-,30-,31+,32-,33-/m1/s1 |
| InChIKey | KDTVTVZGQXEZKG-MLQAKRBISA-N |
| Molecular Weight | 777.408 g/mol |
| SMILES | C1(=C(C(=CC=C1)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[Si](C)(C)C)CCC(=O)O[Si](C)(C)C |