![4-[(2,3-Dihydroxy-3-methyl-1-oxobutoxy)methyl]phenyl B-D-glucopyranoside, 6tms](/api/spectrum/1hfj2ldZsT/structure.png?h=300&w=458 "4-[(2,3-Dihydroxy-3-methyl-1-oxobutoxy)methyl]phenyl B-D-glucopyranoside, 6tms")
| SpectraBase Compound ID | 5CPkCVVjnbS |
|---|---|
| InChI | InChI=1S/C36H74O10Si6/c1-36(2,46-52(18,19)20)33(45-51(15,16)17)34(37)38-25-27-21-23-28(24-22-27)40-35-32(44-50(12,13)14)31(43-49(9,10)11)30(42-48(6,7)8)29(41-35)26-39-47(3,4)5/h21-24,29-33,35H,25-26H2,1-20H3/t29-,30-,31+,32-,33?,35-/m1/s1 |
| InChIKey | VRSUTYWRBDPYDY-QGSHWBGUSA-N |
| Mol Weight | 835.5 g/mol |
| Molecular Formula | C36H74O10Si6 |
| Exact Mass | 834.389758 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1hfj2ldZsT |
|---|---|
| Name | 4-[(2,3-Dihydroxy-3-methyl-1-oxobutoxy)methyl]phenyl B-D-glucopyranoside, 6tms |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 834.389757783 u |
| Formula | C36H74O10Si6 |
| InChI | InChI=1S/C36H74O10Si6/c1-36(2,46-52(18,19)20)33(45-51(15,16)17)34(37)38-25-27-21-23-28(24-22-27)40-35-32(44-50(12,13)14)31(43-49(9,10)11)30(42-48(6,7)8)29(41-35)26-39-47(3,4)5/h21-24,29-33,35H,25-26H2,1-20H3/t29-,30-,31+,32-,33?,35-/m1/s1 |
| InChIKey | VRSUTYWRBDPYDY-QGSHWBGUSA-N |
| Molecular Weight | 835.488 g/mol |
| SMILES | [C@@]1(OC2=CC=C(C=C2)COC(C(C(C)(C)O[Si](C)(C)C)O[Si](C)(C)C)=O)([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] |