FZ5
Summary
| Name: | Scorzodihydrostilbene A |
| Formula: | C23 H28 O10 |
| Formal charge: | 0 |
| Formula weight: | 464.462 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 1-[6-[(2~{S},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-2-[2-(3-methoxy-4-oxidanyl-phenyl)ethyl]-3-oxidanyl-phenyl]ethanone |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C23H28O10/c1-11(25)19-13(5-3-12-4-6-15(27)17(9-12)31-2)14(26)7-8-16(19)32-23-22(30)21(29)20(28)18(10-24)33-23/h4,6-9,18,20-24,26-30H,3,5,10H2,1-2H3/t18-,20-,21+,22-,23-/m1/s1 |
| InChIKey | InChI | 1.03 | YRCZOJOYJCLBDV-DODNOZFWSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1cc(CCc2c(O)ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2C(C)=O)ccc1O |
| SMILES | CACTVS | 3.385 | COc1cc(CCc2c(O)ccc(O[CH]3O[CH](CO)[CH](O)[CH](O)[CH]3O)c2C(C)=O)ccc1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC(=O)c1c(ccc(c1CCc2ccc(c(c2)OC)O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC(=O)c1c(ccc(c1CCc2ccc(c(c2)OC)O)O)OC3C(C(C(C(O3)CO)O)O)O |
