| SpectraBase Compound ID | 4ZIgI3UtKKF |
|---|---|
| InChI | InChI=1S/C31H58O9Si5/c1-21-17-23(32)27-24(34-21)18-22(19-25(27)37-42(5,6)7)35-31-30(40-45(14,15)16)29(39-44(11,12)13)28(38-43(8,9)10)26(36-31)20-33-41(2,3)4/h17-19,26,28-31H,20H2,1-16H3/t26-,28-,29+,30-,31-/m1/s1 |
| InChIKey | ICNSCYSAKCBGDI-OVFXHNNVSA-N |
| Mol Weight | 715.2 g/mol |
| Molecular Formula | C31H58O9Si5 |
| Exact Mass | 714.292716 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 85V6fGEpW60 |
|---|---|
| Name | Undulatoside A, 5tms derivative |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 714.292716114 u |
| Formula | C31H58O9Si5 |
| InChI | InChI=1S/C31H58O9Si5/c1-21-17-23(32)27-24(34-21)18-22(19-25(27)37-42(5,6)7)35-31-30(40-45(14,15)16)29(39-44(11,12)13)28(38-43(8,9)10)26(36-31)20-33-41(2,3)4/h17-19,26,28-31H,20H2,1-16H3/t26-,28-,29+,30-,31-/m1/s1 |
| InChIKey | ICNSCYSAKCBGDI-OVFXHNNVSA-N |
| Molecular Weight | 715.221 g/mol |
| SMILES | C1(=CC(C2=C(O1)C=C(C=C2O[Si](C)(C)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])=O)C |