| 2D Structure | |
| CID | 11464176 |
| Target | / |
| IUPAC Name | (2R,3R)-3-(4-hydroxy-3,5-dimethoxyphenyl)-2-(hydroxymethyl)-5-methoxy-2,3-dihydropyrano[3,2-h][1,4]benzodioxin-9-one |
| InChI | InChI=1S/C21H20O9/c1-25-12-7-11(8-13(26-2)17(12)24)18-15(9-22)28-21-19-10(4-5-16(23)29-19)6-14(27-3)20(21)30-18/h4-8,15,18,22,24H,9H2,1-3H3/t15-,18-/m1/s1 |
| InChI Key | GZXPCBAETDEQAX-CRAIPNDOSA-N |
| Canonical SMILES | COC1=CC(=CC(=C1O)OC)C2C(OC3=C4C(=CC(=C3O2)OC)C=CC(=O)O4)CO |
| Isomeric SMILES | COC1=CC(=CC(=C1O)OC)[C@@H]2[C@H](OC3=C4C(=CC(=C3O2)OC)C=CC(=O)O4)CO |
| Molecular Formula | C21H20O9 |
| Molecular Weight | 416.4 |
| synonyms | ['Cleomiscosin C', '(2R,3R)-3-(4-hydroxy-3,5-dimethoxyphenyl)-2-(hydroxymethyl)-5-methoxy-2,3-dihydropyrano[3,2-h][1,4]benzodioxin-9-one', '(2R,3R)-3-(4-hydroxy-3,5-dimethoxyphenyl)-2-(hydroxymethyl)-5-methoxy-2,3-dihydropyrano(3,2-h)(1,4)benzodioxin-9-one', '84575-10-0', 'Aquillochin', '(2R,3R)-3-(4-Hydroxy-3,5-dimethoxyphenyl)-2-(hydroxymethyl)-5-methoxy-2,3-dihydro-9H-[1,4]dioxino[2,3-h]chromen-9-one', 'CHEMBL465491', 'SCHEMBL4545353', 'HY-N3596', 'MSK182426', 'AKOS032948612', 'FS-9090', 'DA-62387', '1ST182426', 'CS-0023913'] |
From Pubchem