B81
Summary
| Name: | (3alpha,8alpha,17beta)-androst-5-ene-3,17-diol |
| Synonyms: | 5-Androstenediol |
| Formula: | C19 H30 O2 |
| Formal charge: | 0 |
| Formula weight: | 290.44 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 11.02 | (3alpha,8alpha,17beta)-androst-5-ene-3,17-diol |
| OpenEye OEToolkits | 1.6.1 | (3S,8R,9S,10R,13S,14S,17S)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 11.02 | OC4CCC1(C(=CCC2C1CCC3(C2CCC3O)C)C4)C |
| SMILES_CANONICAL | CACTVS | 3.352 | C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@]34C)[C@@H]1CC[C@@H]2O |
| SMILES | CACTVS | 3.352 | C[C]12CC[CH]3[CH](CC=C4C[CH](O)CC[C]34C)[CH]1CC[CH]2O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CC=C4[C@@]3(CC[C@@H](C4)O)C |
| SMILES | OpenEye OEToolkits | 1.7.0 | CC12CCC3C(C1CCC2O)CC=C4C3(CCC(C4)O)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/h3,13-17,20-21H,4-11H2,1-2H3/t13-,14-,15-,16-,17-,18-,19-/m0/s1 |
| InChIKey | InChI | 1.03 | QADHLRWLCPCEKT-LOVVWNRFSA-N |
