ANB
Summary
| Name: | ANDROSTA-1,4-DIENE-3,17-DIONE |
| Formula: | C19 H24 O2 |
| Formal charge: | 0 |
| Formula weight: | 284.393 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (8alpha,14beta)-androsta-1,4-diene-3,17-dione |
| OpenEye OEToolkits | 1.5.0 | (8R,9S,10R,13S,14S)-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-dione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C1C=CC3(C(=C1)CCC4C2CCC(=O)C2(CCC34)C)C |
| SMILES_CANONICAL | CACTVS | 3.341 | C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CCC2=O |
| SMILES | CACTVS | 3.341 | C[C]12CC[CH]3[CH](CCC4=CC(=O)C=C[C]34C)[CH]1CCC2=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=CC(=O)C=C[C@]34C |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC12CCC3C(C1CCC2=O)CCC4=CC(=O)C=CC34C |
| InChI | InChI | 1.03 | InChI=1S/C19H24O2/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/h7,9,11,14-16H,3-6,8,10H2,1-2H3/t14-,15-,16-,18-,19-/m0/s1 |
| InChIKey | InChI | 1.03 | LUJVUUWNAPIQQI-QAGGRKNESA-N |
