| SpectraBase Compound ID | 8P6jfKzv3kv |
|---|---|
| InChI | InChI=1S/C34H70O9Si5/c1-25-21-27(35)22-33(3,24-38-45(7,8)9)34(25,36)20-19-26(2)39-32-31(43-48(16,17)18)30(42-47(13,14)15)29(41-46(10,11)12)28(40-32)23-37-44(4,5)6/h19-21,26,28-32,36H,22-24H2,1-18H3/b20-19+/t26?,28-,29-,30+,31-,32-,33?,34?/m1/s1 |
| InChIKey | CYGJTRWJXBDFEE-JHFGYMDJSA-N |
| Mol Weight | 763.3 g/mol |
| Molecular Formula | C34H70O9Si5 |
| Exact Mass | 762.386617 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5SgaY41Pqhv |
|---|---|
| Name | (E)-4-((3(E)-4-((3-.beta.-D-Glucopyranosyl)oxybut-1-en-1-yl)-4-hydroxy-5-(hydroxymethyl)-3,5-dimethylcyclohex-2-en-1-one, 5tms |
| 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/c1-25-21-27(35)22-33(3,24-38-45(7,8)9)34(25,36)20-19-26(2)39-32-31(43-48(16,17)18)30(42-47(13,14)15)29(41-46(10,11)12)28(40-32)23-37-44(4,5)6/h19-21,26,28-32,36H,22-24H2,1-18H3/b20-19+/t26?,28-,29-,30+,31-,32-,33?,34?/m1/s1 |
| InChIKey | CYGJTRWJXBDFEE-JHFGYMDJSA-N |
| Molecular Weight | 763.350 g/mol |
| SMILES | C1(C=C(C(C(C1)(C)CO[Si](C)(C)C)(\C=C\C(C)O[C@@]1(O[C@](CO[Si](C)(C)C)([C@]([C@@]([C@]1(O[Si](C)(C)C)[H])(O[Si](C)(C)C)[H])(O[Si](C)(C)C)[H])[H])[H])O)C)=O |