![.beta.-D-Glucopyranoside, 3-[[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-1-methylbutyl, 5tms derivative](/api/spectrum/GTUWoOKBXam/structure.png?h=300&w=458 ".beta.-D-Glucopyranoside, 3-[[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-1-methylbutyl, 5tms derivative")
| SpectraBase Compound ID | 36tx01buYgy |
|---|---|
| InChI | InChI=1S/C35H68O9Si5/c1-26(38-31(36)23-20-28-18-21-29(22-19-28)41-46(6,7)8)24-27(2)39-35-34(44-49(15,16)17)33(43-48(12,13)14)32(42-47(9,10)11)30(40-35)25-37-45(3,4)5/h18-23,26-27,30,32-35H,24-25H2,1-17H3/b23-20+/t26?,27?,30-,32-,33+,34-,35-/m1/s1 |
| InChIKey | ZLBPNOXQTUWHCQ-RPATYBNISA-N |
| Mol Weight | 773.3 g/mol |
| Molecular Formula | C35H68O9Si5 |
| Exact Mass | 772.370966 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GTUWoOKBXam |
|---|---|
| Name | .beta.-D-Glucopyranoside, 3-[[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-1-methylbutyl, 5tms derivative |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 772.370966436 u |
| Formula | C35H68O9Si5 |
| InChI | InChI=1S/C35H68O9Si5/c1-26(38-31(36)23-20-28-18-21-29(22-19-28)41-46(6,7)8)24-27(2)39-35-34(44-49(15,16)17)33(43-48(12,13)14)32(42-47(9,10)11)30(40-35)25-37-45(3,4)5/h18-23,26-27,30,32-35H,24-25H2,1-17H3/b23-20+/t26?,27?,30-,32-,33+,34-,35-/m1/s1 |
| InChIKey | ZLBPNOXQTUWHCQ-RPATYBNISA-N |
| Molecular Weight | 773.345 g/mol |
| SMILES | [C@@]1(OC(CC(C)OC(\C=C\C2=CC=C(C=C2)O[Si](C)(C)C)=O)C)([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] |