| SpectraBase Compound ID | GCIZKyITHyl |
|---|---|
| InChI | InChI=1S/C26H36O8/c1-15(11-12-18-17(3)10-7-13-26(18,4)5)8-6-9-16(2)14-19(27)33-25-22(30)20(28)21(29)23(34-25)24(31)32/h6,8-9,11-12,14,20-23,25,28-30H,7,10,13H2,1-5H3,(H,31,32)/b9-6+,12-11+,15-8+,16-14+ |
| InChIKey | MTGFYEHKPMOVNE-YCNIQYBTSA-N |
| Mol Weight | 476.6 g/mol |
| Molecular Formula | C26H36O8 |
| Exact Mass | 476.241018 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AwUNIYrSphz |
|---|---|
| Name | 1-o-Retinoyl-.beta.-D-glucopyranuronic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 476.241018111 u |
| Formula | C26H36O8 |
| InChI | InChI=1S/C26H36O8/c1-15(11-12-18-17(3)10-7-13-26(18,4)5)8-6-9-16(2)14-19(27)33-25-22(30)20(28)21(29)23(34-25)24(31)32/h6,8-9,11-12,14,20-23,25,28-30H,7,10,13H2,1-5H3,(H,31,32)/b9-6+,12-11+,15-8+,16-14+ |
| InChIKey | MTGFYEHKPMOVNE-YCNIQYBTSA-N |
| Molecular Weight | 476.566 g/mol |
| SMILES | C1(OC(C(C(C1O)O)O)OC(=O)\C=C\(\C=C\C=C\(\C=C\C1=C(CCCC1(C)C)C)C)C)C(O)=O |