| SpectraBase Compound ID | D58NTRlhGiq |
|---|---|
| InChI | InChI=1S/C37H62O10Si5/c1-39-29-21-27(22-30-32(29)33(38)28(23-40-30)25-17-19-26(20-18-25)44-49(5,6)7)42-37-36(47-52(14,15)16)35(46-51(11,12)13)34(45-50(8,9)10)31(43-37)24-41-48(2,3)4/h17-23,31,34-37H,24H2,1-16H3/t31-,34-,35+,36-,37-/m1/s1 |
| InChIKey | XUJMNIFGYKRVAE-GRTORUTLSA-N |
| Mol Weight | 807.3 g/mol |
| Molecular Formula | C37H62O10Si5 |
| Exact Mass | 806.318931 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | E2S5krgz1d5 |
|---|---|
| Name | 5-o-Methylgenistein 7-o-.beta.-D-glucopyranoside, 5tms derivative |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 806.318930861 u |
| Formula | C37H62O10Si5 |
| InChI | InChI=1S/C37H62O10Si5/c1-39-29-21-27(22-30-32(29)33(38)28(23-40-30)25-17-19-26(20-18-25)44-49(5,6)7)42-37-36(47-52(14,15)16)35(46-51(11,12)13)34(45-50(8,9)10)31(43-37)24-41-48(2,3)4/h17-23,31,34-37H,24H2,1-16H3/t31-,34-,35+,36-,37-/m1/s1 |
| InChIKey | XUJMNIFGYKRVAE-GRTORUTLSA-N |
| Molecular Weight | 807.318 g/mol |
| SMILES | C1=C(C(C2=C(O1)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)C1=CC=C(C=C1)O[Si](C)(C)C |