AND
Summary
| Name: | 3-BETA-HYDROXY-5-ANDROSTEN-17-ONE |
| Formula: | C19 H28 O2 |
| Formal charge: | 0 |
| Formula weight: | 288.424 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (3alpha,8alpha)-3-hydroxyandrost-5-en-17-one |
| OpenEye OEToolkits | 1.5.0 | (3S,8R,9S,10R,13S,14S)-3-hydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C3CCC4C1C(C2(C(=CC1)CC(O)CC2)C)CCC34C |
| SMILES_CANONICAL | CACTVS | 3.341 | C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@]34C)[C@@H]1CCC2=O |
| SMILES | CACTVS | 3.341 | C[C]12CC[CH]3[CH](CC=C4C[CH](O)CC[C]34C)[CH]1CCC2=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CC=C4[C@@]3(CC[C@@H](C4)O)C |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC12CCC3C(C1CCC2=O)CC=C4C3(CCC(C4)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/h3,13-16,20H,4-11H2,1-2H3/t13-,14-,15-,16-,18-,19-/m0/s1 |
| InChIKey | InChI | 1.03 | FMGSKLZLMKYGDP-USOAJAOKSA-N |
