UU0
Summary
| Name: | 9,11-epoxy-17-hydroxypregn-4-ene-3,20-dione actate |
| Formula: | C24 H32 O6 |
| Formal charge: | 0 |
| Formula weight: | 416.507 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/C24H32O6/c1-13-9-18-17-6-5-15-10-16(26)7-8-21(15,3)24(17)20(30-24)11-22(18,4)23(13,28)19(27)12-29-14(2)25/h10,13,17-18,20,28H,5-9,11-12H2,1-4H3/t13-,17+,18-,20+,21+,22+,23+,24-/m1/s1 |
| InChIKey | InChI | 1.06 | FOTDGVYUEIORAP-ITJRCREZSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H]1C[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@]35O[C@H]5C[C@]2(C)[C@@]1(O)C(=O)COC(C)=O |
| SMILES | CACTVS | 3.385 | C[CH]1C[CH]2[CH]3CCC4=CC(=O)CC[C]4(C)[C]35O[CH]5C[C]2(C)[C]1(O)C(=O)COC(C)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@@H]1C[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@@]4([C@]35[C@@H](O5)C[C@@]2([C@]1(C(=O)COC(=O)C)O)C)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC1CC2C3CCC4=CC(=O)CCC4(C35C(O5)CC2(C1(C(=O)COC(=O)C)O)C)C |
