| SpectraBase Compound ID | LyTR8snn3cj |
|---|---|
| InChI | InChI=1S/C33H70O9Si6/c1-43(2,3)35-22-24-21-26(39-45(7,8)9)25-19-20-34-32(28(24)25)38-33-31(42-48(16,17)18)30(41-47(13,14)15)29(40-46(10,11)12)27(37-33)23-36-44(4,5)6/h19-21,25-33H,22-23H2,1-18H3/t25-,26+,27+,28+,29+,30-,31+,32-,33-/m0/s1 |
| InChIKey | IWQPICOYRSHFQS-GUZKKVRDSA-N |
| Mol Weight | 779.4 g/mol |
| Molecular Formula | C33H70O9Si6 |
| Exact Mass | 778.363543 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9p2YfF45HAy |
|---|---|
| Name | Aucubin, hexakis(trimethylsilyl) ether |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 778.363543035 u |
| Formula | C33H70O9Si6 |
| InChI | InChI=1S/C33H70O9Si6/c1-43(2,3)35-22-24-21-26(39-45(7,8)9)25-19-20-34-32(28(24)25)38-33-31(42-48(16,17)18)30(41-47(13,14)15)29(40-46(10,11)12)27(37-33)23-36-44(4,5)6/h19-21,25-33H,22-23H2,1-18H3/t25-,26+,27+,28+,29+,30-,31+,32-,33-/m0/s1 |
| InChIKey | IWQPICOYRSHFQS-GUZKKVRDSA-N |
| Molecular Weight | 779.424 g/mol |
| SMILES | [C@]12([H])C(CO[Si](C)(C)C)=C[C@]([C@]2([H])C=CO[C@]1(O[C@@]1(O[C@](CO[Si](C)(C)C)([C@@](O[Si](C)(C)C)([C@](O[Si](C)(C)C)([C@]1(O[Si](C)(C)C)[H])[H])[H])[H])[H])[H])(O[Si](C)(C)C)[H] |