A1IQ9
Summary
| Name: | 11-ketodihydrotestosterone |
| Synonyms: | (8~{S},9~{S},10~{S},13~{S},14~{S},17~{S})-10,13-dimethyl-17-oxidanyl-2,4,5,6,7,8,9,12,14,15,16,17-dodecahydro-1~{H}-cyclopenta[a]phenanthrene-3,11-dione |
| Formula: | C19 H28 O3 |
| Formal charge: | 0 |
| Formula weight: | 304.424 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (8~{S},9~{S},10~{S},13~{S},14~{S},17~{S})-10,13-dimethyl-17-oxidanyl-2,4,5,6,7,8,9,12,14,15,16,17-dodecahydro-1~{H}-cyclopenta[a]phenanthrene-3,11-dione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C19H28O3/c1-18-8-7-12(20)9-11(18)3-4-13-14-5-6-16(22)19(14,2)10-15(21)17(13)18/h11,13-14,16-17,22H,3-10H2,1-2H3/t11-,13-,14-,16-,17+,18-,19-/m0/s1 |
| InChIKey | InChI | 1.06 | RSQKILYTRHKUIJ-HZGXJFKTSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@]12CCC(=O)C[C@@H]1CC[C@H]3[C@@H]4CC[C@H](O)[C@@]4(C)CC(=O)[C@H]23 |
| SMILES | CACTVS | 3.385 | C[C]12CCC(=O)C[CH]1CC[CH]3[CH]4CC[CH](O)[C]4(C)CC(=O)[CH]23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@]12CCC(=O)CC1CC[C@@H]3[C@@H]2C(=O)C[C@]4([C@H]3CC[C@@H]4O)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC12CCC(=O)CC1CCC3C2C(=O)CC4(C3CCC4O)C |
