![4-[(2S)-3-(.beta.-D-Glucopyranosyloxy)-2-hydroxy-3-methylbutoxy]-7H-furo[3,2-G][1]benzopyran-7-one, 5tms derivative](/api/spectrum/3eeswOL7RUi/structure.png?h=300&w=458 "4-[(2S)-3-(.beta.-D-Glucopyranosyloxy)-2-hydroxy-3-methylbutoxy]-7H-furo[3,2-G][1]benzopyran-7-one, 5tms derivative")
| SpectraBase Compound ID | 8KaBIMW7QbF |
|---|---|
| InChI | InChI=1S/C37H66O11Si5/c1-37(2,30(45-50(6,7)8)24-40-32-25-18-19-31(38)42-28(25)22-27-26(32)20-21-39-27)44-36-35(48-53(15,16)17)34(47-52(12,13)14)33(46-51(9,10)11)29(43-36)23-41-49(3,4)5/h18-22,29-30,33-36H,23-24H2,1-17H3/t29-,30+,33-,34+,35-,36+/m1/s1 |
| InChIKey | JJYPDVUFRNFXNM-IVMMHXTRSA-N |
| Mol Weight | 827.3 g/mol |
| Molecular Formula | C37H66O11Si5 |
| Exact Mass | 826.345146 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3eeswOL7RUi |
|---|---|
| Name | 4-[(2S)-3-(.beta.-D-Glucopyranosyloxy)-2-hydroxy-3-methylbutoxy]-7H-furo[3,2-G][1]benzopyran-7-one, 5tms derivative |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 826.345145609 u |
| Formula | C37H66O11Si5 |
| InChI | InChI=1S/C37H66O11Si5/c1-37(2,30(45-50(6,7)8)24-40-32-25-18-19-31(38)42-28(25)22-27-26(32)20-21-39-27)44-36-35(48-53(15,16)17)34(47-52(12,13)14)33(46-51(9,10)11)29(43-36)23-41-49(3,4)5/h18-22,29-30,33-36H,23-24H2,1-17H3/t29-,30+,33-,34+,35-,36+/m1/s1 |
| InChIKey | JJYPDVUFRNFXNM-IVMMHXTRSA-N |
| Molecular Weight | 827.349 g/mol |
| SMILES | C1(C=CC2=C(O1)C=C1C(=C2OC[C@@](C(C)(C)O[C@]2([C@](O[Si](C)(C)C)([C@@](O[Si](C)(C)C)([C@](O[Si](C)(C)C)([C@](O2)(CO[Si](C)(C)C)[H])[H])[H])[H])[H])(O[Si](C)(C)C)[H])C=CO1)=O |