FFA
Summary
| Name: | (10ALPHA,13ALPHA,14BETA,17ALPHA)-17-HYDROXYANDROST-4-EN-3-ONE |
| Synonyms: | EPI-TESTOSTERONE |
| Formula: | C19 H28 O2 |
| Formal charge: | 0 |
| Formula weight: | 288.424 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (10alpha,13alpha,14beta,17alpha)-17-hydroxyandrost-4-en-3-one |
| OpenEye OEToolkits | 1.5.0 | (8R,9S,10R,13S,14S,17R)-17-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C4C=C3C(C2CCC1(C(CCC1O)C2CC3)C)(C)CC4 |
| SMILES_CANONICAL | CACTVS | 3.341 | C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@H]2O |
| SMILES | CACTVS | 3.341 | C[C]12CC[CH]3[CH](CCC4=CC(=O)CC[C]34C)[CH]1CC[CH]2O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@H]2O)CCC4=CC(=O)CC[C@]34C |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC12CCC3C(C1CCC2O)CCC4=CC(=O)CCC34C |
| 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/h11,14-17,21H,3-10H2,1-2H3/t14-,15-,16-,17+,18-,19-/m0/s1 |
| InChIKey | InChI | 1.03 | MUMGGOZAMZWBJJ-KZYORJDKSA-N |
