ANO
Summary
| Name: | 5-BETA-ANDROSTANE-3,17-DIONE |
| Formula: | C19 H28 O2 |
| Formal charge: | 0 |
| Formula weight: | 288.424 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (5beta,8alpha)-androstane-3,17-dione |
| OpenEye OEToolkits | 1.5.0 | (5R,8R,9S,10S,13S,14S)-10,13-dimethyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene-3,17-dione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C3CC4CCC2C1C(C(=O)CC1)(CCC2C4(C)CC3)C |
| SMILES_CANONICAL | CACTVS | 3.341 | C[C@]12CCC(=O)C[C@H]1CC[C@@H]3[C@@H]2CC[C@@]4(C)[C@H]3CCC4=O |
| SMILES | CACTVS | 3.341 | C[C]12CCC(=O)C[CH]1CC[CH]3[CH]2CC[C]4(C)[CH]3CCC4=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C[C@]12CCC(=O)C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC12CCC(=O)CC1CCC3C2CCC4(C3CCC4=O)C |
| InChI | InChI | 1.03 | InChI=1S/C19H28O2/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/h12,14-16H,3-11H2,1-2H3/t12-,14+,15+,16+,18+,19+/m1/s1 |
| InChIKey | InChI | 1.03 | RAJWOBJTTGJROA-QJISAEMRSA-N |
