A1LZH
Summary
| Name: | deoxysordaricin |
| Formula: | C20 H28 O3 |
| Formal charge: | 0 |
| Formula weight: | 316.435 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/C20H28O3/c1-11(2)16-7-13-8-19(10-21)15-6-5-12(3)14(15)9-18(13,4)20(16,19)17(22)23/h7,10-15H,5-6,8-9H2,1-4H3,(H,22,23)/t12-,13+,14-,15-,18-,19+,20-/m1/s1 |
| InChIKey | InChI | 1.06 | PREPDMQKKFKALX-JUZOJGAKSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)C1=C[C@H]2C[C@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2(C)[C@]13C(O)=O |
| SMILES | CACTVS | 3.385 | CC(C)C1=C[CH]2C[C]3(C=O)[CH]4CC[CH](C)[CH]4C[C]2(C)[C]13C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@@H]1CC[C@@H]2[C@@H]1C[C@@]3([C@@H]4C[C@]2([C@]3(C(=C4)C(C)C)C(=O)O)C=O)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC1CCC2C1CC3(C4CC2(C3(C(=C4)C(C)C)C(=O)O)C=O)C |
