A1EVL
Summary
| Name: | (3S,11R)-tetracyclo[6.3.0.02,6.05,9]undecane-3,11-diol |
| Formula: | C11 H16 O2 |
| Formal charge: | 0 |
| Formula weight: | 180.244 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/C11H16O2/c12-8-2-4-5-3-9(13)11-7(5)1-6(4)10(8)11/h4-13H,1-3H2/t4-,5+,6+,7-,8-,9+,10+,11- |
| InChIKey | InChI | 1.06 | SGJHAJIYHXLQSR-JJSSPVMXSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O[C@H]1C[C@H]2[C@H]3C[C@@H](O)[C@@H]4[C@H]3C[C@H]2[C@H]14 |
| SMILES | CACTVS | 3.385 | O[CH]1C[CH]2[CH]3C[CH](O)[CH]4[CH]3C[CH]2[CH]14 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C1[C@@H]2[C@H]3C[C@@H]([C@@H]2[C@H]4[C@@H]1[C@@H]3C[C@H]4O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | C1C2C3CC(C2C4C1C3CC4O)O |
