| SpectraBase Compound ID | 3o2r80xIpGT |
|---|---|
| InChI | InChI=1S/C28H54O9Si4/c1-14-19-20-15-16-30-26(29)21(20)17-31-27(19)34-28-25(37-41(11,12)13)24(36-40(8,9)10)23(35-39(5,6)7)22(33-28)18-32-38(2,3)4/h14,17,19-20,22-25,27-28H,1,15-16,18H2,2-13H3/t19-,20+,22-,23-,24+,25-,27+,28+/m1/s1 |
| InChIKey | DQTXUPYPAXXZBP-VDIZYGNCSA-N |
| Mol Weight | 647.1 g/mol |
| Molecular Formula | C28H54O9Si4 |
| Exact Mass | 646.284489 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9epoxewA8vD |
|---|---|
| Name | Sweroside, 4tms derivative |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 646.284489450 u |
| Formula | C28H54O9Si4 |
| InChI | InChI=1S/C28H54O9Si4/c1-14-19-20-15-16-30-26(29)21(20)17-31-27(19)34-28-25(37-41(11,12)13)24(36-40(8,9)10)23(35-39(5,6)7)22(33-28)18-32-38(2,3)4/h14,17,19-20,22-25,27-28H,1,15-16,18H2,2-13H3/t19-,20+,22-,23-,24+,25-,27+,28+/m1/s1 |
| InChIKey | DQTXUPYPAXXZBP-VDIZYGNCSA-N |
| Molecular Weight | 647.071 g/mol |
| SMILES | C1(C=2[C@@](CCO1)([C@]([C@@](OC2)(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])[H])(C=C)[H])[H])=O |