![1-Cyclohexene-1-carboxylic acid, 6-[3-(.beta.-D-glucopyranosyloxy)butyl]-5,5-dimethyl-3-oxo-, 5tms derivative](/api/spectrum/Izbk9LehRvV/structure.png?h=300&w=458 "1-Cyclohexene-1-carboxylic acid, 6-[3-(.beta.-D-glucopyranosyloxy)butyl]-5,5-dimethyl-3-oxo-, 5tms derivative")
| SpectraBase Compound ID | GHeY38LgZjU |
|---|---|
| InChI | InChI=1S/C34H70O9Si5/c1-24(19-20-27-26(32(36)43-48(16,17)18)21-25(35)22-34(27,2)3)38-33-31(42-47(13,14)15)30(41-46(10,11)12)29(40-45(7,8)9)28(39-33)23-37-44(4,5)6/h21,24,27-31,33H,19-20,22-23H2,1-18H3/t24?,27?,28-,29-,30+,31-,33-/m1/s1 |
| InChIKey | XWSVLEYCJUPYMA-VIMBAGRCSA-N |
| Mol Weight | 763.3 g/mol |
| Molecular Formula | C34H70O9Si5 |
| Exact Mass | 762.386617 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 | Izbk9LehRvV |
|---|---|
| Name | 1-Cyclohexene-1-carboxylic acid, 6-[3-(.beta.-D-glucopyranosyloxy)butyl]-5,5-dimethyl-3-oxo-, 5tms derivative |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 762.386616500 u |
| Formula | C34H70O9Si5 |
| InChI | InChI=1S/C34H70O9Si5/c1-24(19-20-27-26(32(36)43-48(16,17)18)21-25(35)22-34(27,2)3)38-33-31(42-47(13,14)15)30(41-46(10,11)12)29(40-45(7,8)9)28(39-33)23-37-44(4,5)6/h21,24,27-31,33H,19-20,22-23H2,1-18H3/t24?,27?,28-,29-,30+,31-,33-/m1/s1 |
| InChIKey | XWSVLEYCJUPYMA-VIMBAGRCSA-N |
| Molecular Weight | 763.350 g/mol |
| SMILES | C1(=CC(CC(C1CCC(C)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])(C)C)=O)C(=O)O[Si](C)(C)C |