| SpectraBase Compound ID | BKdCPJSYhDY |
|---|---|
| InChI | InChI=1S/C29H56O8Si4/c1-15-21(2)28(30)31-20-24-25(35-39(6,7)8)26(36-40(9,10)11)27(37-41(12,13)14)29(33-24)32-22-16-18-23(19-17-22)34-38(3,4)5/h16-19,21,24-27,29H,15,20H2,1-14H3/t21?,24-,25-,26+,27-,29-/m1/s1 |
| InChIKey | DNBNLJRJLMZYKV-XQIITFELSA-N |
| Mol Weight | 645.1 g/mol |
| Molecular Formula | C29H56O8Si4 |
| Exact Mass | 644.305225 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BLj9kSVdG9o |
|---|---|
| Name | .beta.-D-Glucopyranoside, 4-hydroxyphenyl, 6-(2-methylbutanoate), 4tms derivartive |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 644.305224895 u |
| Formula | C29H56O8Si4 |
| InChI | InChI=1S/C29H56O8Si4/c1-15-21(2)28(30)31-20-24-25(35-39(6,7)8)26(36-40(9,10)11)27(37-41(12,13)14)29(33-24)32-22-16-18-23(19-17-22)34-38(3,4)5/h16-19,21,24-27,29H,15,20H2,1-14H3/t21?,24-,25-,26+,27-,29-/m1/s1 |
| InChIKey | DNBNLJRJLMZYKV-XQIITFELSA-N |
| Molecular Weight | 645.099 g/mol |
| SMILES | [C@@]1(OC2=CC=C(C=C2)O[Si](C)(C)C)([C@](O[Si](C)(C)C)([C@@](O[Si](C)(C)C)([C@](O[Si](C)(C)C)([C@](O1)(COC(C(CC)C)=O)[H])[H])[H])[H])[H] |