A1EUW
Summary
| Name: | Artemisinin |
| Synonyms: | (1R,4S,5R,8S,9R,12S,13R)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-one |
| Formula: | C15 H22 O5 |
| Formal charge: | 0 |
| Formula weight: | 282.332 Da |
| Component type: | non-polymer |
| Ambiguous Chemistry Warning: | The chemical description of this component is not well described in this definition. Descriptors and chemical names should be used with caution. |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C15H22O5/c1-8-4-5-11-9(2)12(16)17-13-15(11)10(8)6-7-14(3,18-13)19-20-15/h8-11,13H,4-7H2,1-3H3/t8-,9-,10+,11+,13-,14-,15-/m1/s1 |
| InChIKey | InChI | 1.06 | BLUAFEHZUWYNDE-NNWCWBAJSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H]1CC[C@H]2[C@@H](C)C(=O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 |
| SMILES | CACTVS | 3.385 | C[CH]1CC[CH]2[CH](C)C(=O)O[CH]3O[C]4(C)CC[CH]1[C]23OO4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@@H]1CC[C@H]2[C@H](C(=O)O[C@H]3[C@@]24[C@H]1CC[C@](O3)(OO4)C)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC1CCC2C(C(=O)OC3C24C1CCC(O3)(OO4)C)C |
