| SpectraBase Compound ID | DcULxo2IdQv |
|---|---|
| InChI | InChI=1S/C21H22O9/c1-27-18-12(28-9-10-5-3-2-4-6-10)7-11-14(16(18)24)19-20(30-21(11)26)17(25)15(23)13(8-22)29-19/h2-7,13,15,17,19-20,22-25H,8-9H2,1H3/t13-,15-,17+,19+,20-/m1/s1 |
| InChIKey | DNCBKBSCRCFEAM-YJLWDSPXSA-N |
| Mol Weight | 418.4 g/mol |
| Molecular Formula | C21H22O9 |
| Exact Mass | 418.126382 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | C2vxPS09USQ |
|---|---|
| Name | (-)-2-.beta.-D-Glucopyranosyl-(8-O-benzyl-4-O-methyl)gallic acid delta-lactone |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H22O9 |
| InChI | InChI=1S/C21H22O9/c1-27-18-12(28-9-10-5-3-2-4-6-10)7-11-14(16(18)24)19-20(30-21(11)26)17(25)15(23)13(8-22)29-19/h2-7,13,15,17,19-20,22-25H,8-9H2,1H3/t13-,15-,17+,19+,20-/m1/s1 |
| InChIKey | DNCBKBSCRCFEAM-YJLWDSPXSA-N |
| Molecular Weight | 418.398 g/mol |
| SMILES | O[C@@]1([C@@]2([C@@](O[C@@]([C@]1(O)[H])(CO)[H])(c1c(C(O2)=O)cc(c(c1O)OC)OCc1ccccc1)[H])[H])[H] |
| SPLASH | splash10-00kf-9010400000-12dc0c538f49868bf3b4 |
| Source of Spectrum | F-66-5915-10g |
| Wiley ID | 1683544 |