| SpectraBase Compound ID | 5pDl5y2xwqH |
|---|---|
| InChI | InChI=1S/C26H26O11/c1-15(27)35-25-24(33)23(32)20(14-34-22(31)13-7-16-2-8-18(28)9-3-16)37-26(25)36-19-10-4-17(5-11-19)6-12-21(29)30/h2-13,20,23-26,28,32-33H,14H2,1H3,(H,29,30)/b12-6+,13-7+/t20-,23-,24+,25-,26-/m1/s1 |
| InChIKey | LDYQNDDGKTWQSU-QVZULLTRSA-N |
| Mol Weight | 514.48 g/mol |
| Molecular Formula | C26H26O11 |
| Exact Mass | 514.147512 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | I5dMYOfn3ZT |
|---|---|
| Name | 4-O-(2-O-Acetyl-6-O-p-coumaroyl-.beta.,D-glucopyranosyl)-p-coumaric acid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C26H26O11 |
| InChI | InChI=1S/C26H26O11/c1-15(27)35-25-24(33)23(32)20(14-34-22(31)13-7-16-2-8-18(28)9-3-16)37-26(25)36-19-10-4-17(5-11-19)6-12-21(29)30/h2-13,20,23-26,28,32-33H,14H2,1H3,(H,29,30)/b12-6+,13-7+/t20-,23-,24+,25-,26-/m1/s1 |
| InChIKey | LDYQNDDGKTWQSU-QVZULLTRSA-N |
| Molecular Weight | 514.483 g/mol |
| SMILES | O[C@@]1([C@]([C@](Oc2ccc(\C=C\C(=O)O)cc2)(O[C@@]([C@]1(O)[H])(COC(\C=C\c1ccc(cc1)O)=O)[H])[H])(OC(=O)C)[H])[H] |
| SPLASH | splash10-0002-0900000000-6e8c05c8992a95cf13a4 |
| Source of Spectrum | E1-39-711-5 |
| Wiley ID | 1518834 |