AOX
Summary
| Name: | (3Beta,5alpha)-3-Hydroxyandrostan-17-one |
| Synonyms: | Epiandrosterone |
| Formula: | C19 H30 O2 |
| Formal charge: | 0 |
| Formula weight: | 290.44 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 1.7.6 | (3S,5S,8R,9S,10S,13S,14S)-10,13-dimethyl-3-oxidanyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C2C1(CCC3C(C1CC2)CCC4C3(CCC(O)C4)C)C |
| InChI | InChI | 1.03 | InChI=1S/C19H30O2/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/h12-16,20H,3-11H2,1-2H3/t12-,13-,14-,15-,16-,18-,19-/m0/s1 |
| InChIKey | InChI | 1.03 | QGXBDMJGAMFCBF-LUJOEAJASA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]3[C@@H]2CC[C@@]4(C)[C@H]3CCC4=O |
| SMILES | CACTVS | 3.370 | C[C]12CC[CH](O)C[CH]1CC[CH]3[CH]2CC[C]4(C)[CH]3CCC4=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C[C@]12CC[C@@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC12CCC(CC1CCC3C2CCC4(C3CCC4=O)C)O |
