| SpectraBase Compound ID | 2g35nTdHUe6 |
|---|---|
| InChI | InChI=1S/C35H64O9Si5/c1-23-19-25-20-26(21-27(37-3)30(25)32(29(23)24(2)36)42-47(10,11)12)39-35-34(44-49(16,17)18)33(43-48(13,14)15)31(41-46(7,8)9)28(40-35)22-38-45(4,5)6/h19-21,28,31,33-35H,22H2,1-18H3/t28-,31+,33+,34-,35-/m1/s1 |
| InChIKey | LWQMSIWAVFNUNS-GUFPFSRMSA-N |
| Mol Weight | 769.3 g/mol |
| Molecular Formula | C35H64O9Si5 |
| Exact Mass | 768.339666 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6JZk4BF3EpO |
|---|---|
| Name | Isotorachrysone 6-glucoside, 5tms derivative |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 768.339666307 u |
| Formula | C35H64O9Si5 |
| InChI | InChI=1S/C35H64O9Si5/c1-23-19-25-20-26(21-27(37-3)30(25)32(29(23)24(2)36)42-47(10,11)12)39-35-34(44-49(16,17)18)33(43-48(13,14)15)31(41-46(7,8)9)28(40-35)22-38-45(4,5)6/h19-21,28,31,33-35H,22H2,1-18H3/t28-,31+,33+,34-,35-/m1/s1 |
| InChIKey | LWQMSIWAVFNUNS-GUFPFSRMSA-N |
| Molecular Weight | 769.313 g/mol |
| SMILES | C(C)(C1=C(C2=C(C=C1C)C=C(C=C2OC)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[Si](C)(C)C)=O |