| SpectraBase Compound ID | 9RxzF9TezAt |
|---|---|
| InChI | InChI=1S/C41H76O12Si7/c1-54(2,3)47-31-24-22-29(26-33(31)49-56(7,8)9)39(42)44-28-35-36(51-58(13,14)15)37(52-59(16,17)18)38(53-60(19,20)21)41(45-35)46-40(43)30-23-25-32(48-55(4,5)6)34(27-30)50-57(10,11)12/h22-27,35-38,41H,28H2,1-21H3/t35-,36-,37+,38-,41+/m1/s1 |
| InChIKey | IRZLJUNHGBMUFB-DJDILAQZSA-N |
| Mol Weight | 957.6 g/mol |
| Molecular Formula | C41H76O12Si7 |
| Exact Mass | 956.372164 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5ShFA6DKntR |
|---|---|
| Name | .beta.-D-Glucopyranose 1,6-bis(3,4-dihydroxybenzoate), 7tms derivative |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 956.372163620 u |
| Formula | C41H76O12Si7 |
| InChI | InChI=1S/C41H76O12Si7/c1-54(2,3)47-31-24-22-29(26-33(31)49-56(7,8)9)39(42)44-28-35-36(51-58(13,14)15)37(52-59(16,17)18)38(53-60(19,20)21)41(45-35)46-40(43)30-23-25-32(48-55(4,5)6)34(27-30)50-57(10,11)12/h22-27,35-38,41H,28H2,1-21H3/t35-,36-,37+,38-,41+/m1/s1 |
| InChIKey | IRZLJUNHGBMUFB-DJDILAQZSA-N |
| Molecular Weight | 957.642 g/mol |
| SMILES | [C@]1([C@](O[Si](C)(C)C)([C@@](O[Si](C)(C)C)([C@](O[Si](C)(C)C)([C@](O1)(COC(C1=CC(=C(C=C1)O[Si](C)(C)C)O[Si](C)(C)C)=O)[H])[H])[H])[H])(OC(C1=CC=C(C(O[Si](C)(C)C)=C1)O[Si](C)(C)C)=O)[H] |