| SpectraBase Compound ID | CDFToJwJFdU |
|---|---|
| InChI | InChI=1S/C20H38O11/c1-21-9-11(23-3)14-16(18(27-7)19(28-8)30-14)31-20-17(26-6)15(25-5)13(24-4)12(29-20)10-22-2/h11-20H,9-10H2,1-8H3/t11-,12-,13+,14-,15-,16+,17-,18-,19-,20+/m1/s1 |
| InChIKey | SIECOFHUBBOMQG-KDZQPIFOSA-N |
| Mol Weight | 454.5 g/mol |
| Molecular Formula | C20H38O11 |
| Exact Mass | 454.241412 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DTRHtSBlccd |
|---|---|
| Name | Permethyl-.beta.-D-glucopyranosyl (1-3)-.beta.-D-glucopyranose |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 454.241412033 u |
| Formula | C20H38O11 |
| InChI | InChI=1S/C20H38O11/c1-21-9-11(23-3)14-16(18(27-7)19(28-8)30-14)31-20-17(26-6)15(25-5)13(24-4)12(29-20)10-22-2/h11-20H,9-10H2,1-8H3/t11-,12-,13+,14-,15-,16+,17-,18-,19-,20+/m1/s1 |
| InChIKey | SIECOFHUBBOMQG-KDZQPIFOSA-N |
| Molecular Weight | 454.513 g/mol |
| SMILES | [C@]1([C@](O[C@]([C@@]1(OC)[H])(OC)[H])([C@](OC)(COC)[H])[H])(O[C@]1([C@@]([C@](OC)([C@]([C@](O1)(COC)[H])(OC)[H])[H])(OC)[H])[H])[H] |