ASD
Summary
| Name: | 4-ANDROSTENE-3-17-DIONE |
| Formula: | C19 H26 O2 |
| Formal charge: | 0 |
| Formula weight: | 286.409 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | androst-4-ene-3,17-dione |
| OpenEye OEToolkits | 1.7.0 | (8R,9S,10R,13S,14S)-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C3CCC4C2C(C1(C(=CC(=O)CC1)CC2)C)CCC34C |
| SMILES_CANONICAL | CACTVS | 3.370 | C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CCC2=O |
| SMILES | CACTVS | 3.370 | C[C]12CC[CH]3[CH](CCC4=CC(=O)CC[C]34C)[CH]1CCC2=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C |
| SMILES | OpenEye OEToolkits | 1.7.0 | CC12CCC(=O)C=C1CCC3C2CCC4(C3CCC4=O)C |
| InChI | InChI | 1.03 | InChI=1S/C19H26O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,14-16H,3-10H2,1-2H3/t14-,15-,16-,18-,19-/m0/s1 |
| InChIKey | InChI | 1.03 | AEMFNILZOJDQLW-QAGGRKNESA-N |
