| SpectraBase Compound ID | 48xOtLLpM0A |
|---|---|
| InChI | InChI=1S/C23H27NO12/c1-11(25)31-10-18-19(33-13(3)27)20(34-14(4)28)21(35-15(5)29)23(36-18)24-22(30)16-8-6-7-9-17(16)32-12(2)26/h6-9,18-21,23H,10H2,1-5H3,(H,24,30)/t18-,19-,20+,21-,23-/m1/s1 |
| InChIKey | XCDGANBSNMEPNS-ZFVIQDPVSA-N |
| Mol Weight | 509.46 g/mol |
| Molecular Formula | C23H27NO12 |
| Exact Mass | 509.153325 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4rjbA0128uD |
|---|---|
| Name | N-(beta-D-Glucopyranosyl)salicylamide, pentaacetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 509.153325301 u |
| Formula | C23H27NO12 |
| InChI | InChI=1S/C23H27NO12/c1-11(25)31-10-18-19(33-13(3)27)20(34-14(4)28)21(35-15(5)29)23(36-18)24-22(30)16-8-6-7-9-17(16)32-12(2)26/h6-9,18-21,23H,10H2,1-5H3,(H,24,30)/t18-,19-,20+,21-,23-/m1/s1 |
| InChIKey | XCDGANBSNMEPNS-ZFVIQDPVSA-N |
| Molecular Weight | 509.464 g/mol |
| SMILES | N([C@]1([C@@]([C@]([C@@]([C@](O1)(COC(C)=O)[H])(OC(C)=O)[H])(OC(C)=O)[H])(OC(C)=O)[H])[H])C(C=1C(=CC=CC1)OC(=O)C)=O |