EXM
Summary
| Name: | (8alpha,10alpha,13alpha)-6-methylideneandrosta-1,4-diene-3,17-dione |
| Synonyms: | Exemestane aromasin |
| Formula: | C20 H24 O2 |
| Formal charge: | 0 |
| Formula weight: | 296.403 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (8alpha,10alpha,13alpha)-6-methylideneandrosta-1,4-diene-3,17-dione |
| OpenEye OEToolkits | 1.7.2 | (8R,9S,10R,13S,14S)-10,13-dimethyl-6-methylidene-7,8,9,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-3,17-dione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C2C=C1\C(=C)CC3C(C1(C=C2)C)CCC4(C(=O)CCC34)C |
| InChI | InChI | 1.03 | InChI=1S/C20H24O2/c1-12-10-14-15-4-5-18(22)20(15,3)9-7-16(14)19(2)8-6-13(21)11-17(12)19/h6,8,11,14-16H,1,4-5,7,9-10H2,2-3H3/t14-,15-,16-,19+,20-/m0/s1 |
| InChIKey | InChI | 1.03 | BFYIZQONLCFLEV-DAELLWKTSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | C[C@]12CC[C@H]3[C@@H](CC(=C)C4=CC(=O)C=C[C@]34C)[C@@H]1CCC2=O |
| SMILES | CACTVS | 3.370 | C[C]12CC[CH]3[CH](CC(=C)C4=CC(=O)C=C[C]34C)[CH]1CCC2=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CC(=C)C4=CC(=O)C=C[C@]34C |
| SMILES | OpenEye OEToolkits | 1.7.2 | CC12CCC3C(C1CCC2=O)CC(=C)C4=CC(=O)C=CC34C |
