| SpectraBase Compound ID | I8OL9nihzbp |
|---|---|
| InChI | InChI=1S/C26H30O14/c1-36-20(29)10-16-15(8-9-37-19(28)7-4-13-2-5-14(27)6-3-13)26(38-11-17(16)24(33)34)39-12-18-21(30)22(31)23(32)25(35)40-18/h2-8,11,16,18,21-23,25-27,30-32,35H,9-10,12H2,1H3,(H,33,34)/b7-4+,15-8+/t16-,18+,21-,22-,23+,25+,26-/m0/s1 |
| InChIKey | CMQLTMNKMAMGFE-DORSQEIASA-N |
| Mol Weight | 566.51 g/mol |
| Molecular Formula | C26H30O14 |
| Exact Mass | 566.163556 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DnEb3Ezitzi |
|---|---|
| Name | Jaslanceoside B |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 566.163555632 u |
| Formula | C26H30O14 |
| InChI | InChI=1S/C26H30O14/c1-36-20(29)10-16-15(8-9-37-19(28)7-4-13-2-5-14(27)6-3-13)26(38-11-17(16)24(33)34)39-12-18-21(30)22(31)23(32)25(35)40-18/h2-8,11,16,18,21-23,25-27,30-32,35H,9-10,12H2,1H3,(H,33,34)/b7-4+,15-8+/t16-,18+,21-,22-,23+,25+,26-/m0/s1 |
| InChIKey | CMQLTMNKMAMGFE-DORSQEIASA-N |
| Molecular Weight | 566.512 g/mol |
| SMILES | C=1([C@](\C(=C/COC(\C=C\C=2C=CC(=CC2)O)=O)[C@@](OC1)(OC[C@]1(O[C@@](O)([C@@]([C@]([C@]1(O)[H])(O)[H])(O)[H])[H])[H])[H])(CC(=O)OC)[H])C(=O)O |