| SpectraBase Compound ID | 7fSWvUTRq79 |
|---|---|
| InChI | InChI=1S/C33H62O10Si5/c1-35-29-23(17-18-28(34)40-45(5,6)7)26(21-25-24(29)19-20-36-25)38-33-32(43-48(14,15)16)31(42-47(11,12)13)30(41-46(8,9)10)27(39-33)22-37-44(2,3)4/h19-21,27,30-33H,17-18,22H2,1-16H3/t27-,30-,31+,32-,33-/m1/s1 |
| InChIKey | WTCWDAXZYPAWIQ-MLQAKRBISA-N |
| Mol Weight | 759.3 g/mol |
| Molecular Formula | C33H62O10Si5 |
| Exact Mass | 758.318931 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GkYCkRP7YO0 |
|---|---|
| Name | Picraquassioside A, 5tms |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 758.318930861 u |
| Formula | C33H62O10Si5 |
| InChI | InChI=1S/C33H62O10Si5/c1-35-29-23(17-18-28(34)40-45(5,6)7)26(21-25-24(29)19-20-36-25)38-33-32(43-48(14,15)16)31(42-47(11,12)13)30(41-46(8,9)10)27(39-33)22-37-44(2,3)4/h19-21,27,30-33H,17-18,22H2,1-16H3/t27-,30-,31+,32-,33-/m1/s1 |
| InChIKey | WTCWDAXZYPAWIQ-MLQAKRBISA-N |
| Molecular Weight | 759.274 g/mol |
| SMILES | [C@]1(OC=2C(=C(C3=C(C2)OC=C3)OC)CCC(O[Si](C)(C)C)=O)(O[C@@]([C@]([C@@]([C@]1(O[Si](C)(C)C)[H])(O[Si](C)(C)C)[H])(O[Si](C)(C)C)[H])(CO[Si](C)(C)C)[H])[H] |