| SpectraBase Compound ID | IMI2MZukdXZ |
|---|---|
| InChI | InChI=1S/C31H64O7Si4/c1-22-19-24(20-31(3,4)25(22)18-17-23(2)32)34-30-29(38-42(14,15)16)28(37-41(11,12)13)27(36-40(8,9)10)26(35-30)21-33-39(5,6)7/h17-18,22,24-30H,19-21H2,1-16H3/b18-17+/t22?,24?,25?,26-,27-,28+,29-,30-/m1/s1 |
| InChIKey | VZYAJIJHASXMQH-WQBPLCJISA-N |
| Mol Weight | 661.2 g/mol |
| Molecular Formula | C31H64O7Si4 |
| Exact Mass | 660.372911 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5NgWqANHRm1 |
|---|---|
| Name | (E)-4-2,2,6-Trimethyl-4-.beta.-D-glucopyranosyloxycyclohexylbut-3-en-2-one, 4tms |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 660.372910534 u |
| Formula | C31H64O7Si4 |
| InChI | InChI=1S/C31H64O7Si4/c1-22-19-24(20-31(3,4)25(22)18-17-23(2)32)34-30-29(38-42(14,15)16)28(37-41(11,12)13)27(36-40(8,9)10)26(35-30)21-33-39(5,6)7/h17-18,22,24-30H,19-21H2,1-16H3/b18-17+/t22?,24?,25?,26-,27-,28+,29-,30-/m1/s1 |
| InChIKey | VZYAJIJHASXMQH-WQBPLCJISA-N |
| SMILES | C[Si](C)(C)O[C@]1([C@](O[Si](C)(C)C)([C@@](CO[Si](C)(C)C)(O[C@@](OC2CC(C(\C=C\C(C)=O)C(C)C2)(C)C)([C@@]1(O[Si](C)(C)C)[H])[H])[H])[H])[H] |