| SpectraBase Compound ID | 67dCgbVoAGu |
|---|---|
| InChI | InChI=1S/C23H49NO6Si4/c1-18(16-24)14-15-25-23-22(30-34(11,12)13)21(29-33(8,9)10)20(28-32(5,6)7)19(27-23)17-26-31(2,3)4/h14,19-23H,15,17H2,1-13H3/b18-14-/t19-,20-,21+,22-,23-/m1/s1 |
| InChIKey | MZAZXAJDWVXKDI-NKKWOKNNSA-N |
| Mol Weight | 548.0 g/mol |
| Molecular Formula | C23H49NO6Si4 |
| Exact Mass | 547.263694 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CZBPia1R0pH |
|---|---|
| Name | Multifidin, 4tms derivative |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 547.263694436 u |
| Formula | C23H49NO6Si4 |
| InChI | InChI=1S/C23H49NO6Si4/c1-18(16-24)14-15-25-23-22(30-34(11,12)13)21(29-33(8,9)10)20(28-32(5,6)7)19(27-23)17-26-31(2,3)4/h14,19-23H,15,17H2,1-13H3/b18-14-/t19-,20-,21+,22-,23-/m1/s1 |
| InChIKey | MZAZXAJDWVXKDI-NKKWOKNNSA-N |
| Molecular Weight | 547.986 g/mol |
| SMILES | C(\C(=C/CO[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])C)#N |