| SpectraBase Compound ID | 1XiMBsI30fy |
|---|---|
| InChI | InChI=1S/C37H76O10Si6/c1-48(2,3)40-27-29-31(44-50(7,8)9)33(46-52(13,14)15)34(36(41-29)38-25-24-28-22-20-19-21-23-28)42-37-35(47-53(16,17)18)32(45-51(10,11)12)30(26-39-37)43-49(4,5)6/h19-23,29-37H,24-27H2,1-18H3/t29-,30-,31-,32+,33+,34-,35-,36-,37+/m1/s1 |
| InChIKey | MNXCCTRETVUVAN-BIBQMGKKSA-N |
| Mol Weight | 849.5 g/mol |
| Molecular Formula | C37H76O10Si6 |
| Exact Mass | 848.405408 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LMmhWQr4xxs |
|---|---|
| Name | .beta.-D-Glucopyranoside, 2-phenylethyl 2-o-.beta.-D-xylopyranosyl-, 6tms |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 848.405407847 u |
| Formula | C37H76O10Si6 |
| InChI | InChI=1S/C37H76O10Si6/c1-48(2,3)40-27-29-31(44-50(7,8)9)33(46-52(13,14)15)34(36(41-29)38-25-24-28-22-20-19-21-23-28)42-37-35(47-53(16,17)18)32(45-51(10,11)12)30(26-39-37)43-49(4,5)6/h19-23,29-37H,24-27H2,1-18H3/t29-,30-,31-,32+,33+,34-,35-,36-,37+/m1/s1 |
| InChIKey | MNXCCTRETVUVAN-BIBQMGKKSA-N |
| Molecular Weight | 849.515 g/mol |
| SMILES | [C@@]1(OCCC2=CC=CC=C2)([C@](O[C@]2([C@](O[Si](C)(C)C)([C@@](O[Si](C)(C)C)([C@](O[Si](C)(C)C)(CO2)[H])[H])[H])[H])([C@@](O[Si](C)(C)C)([C@](O[Si](C)(C)C)([C@](O1)(CO[Si](C)(C)C)[H])[H])[H])[H])[H] |