AON
Summary
| Name: | 5-ALPHA-ANDROSTANE-3-BETA,17-ALPHA-DIOL |
| Formula: | C19 H32 O2 |
| Formal charge: | 0 |
| Formula weight: | 292.456 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (3beta,5beta,17beta)-androstane-3,17-diol |
| OpenEye OEToolkits | 1.5.0 | (3S,5S,8R,9S,10S,13S,14S,17R)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | OC4CC3C(C1C(C2C(C)(CC1)C(O)CC2)CC3)(C)CC4 |
| SMILES_CANONICAL | CACTVS | 3.341 | C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H](O)CC[C@]34C)[C@@H]1CC[C@H]2O |
| SMILES | CACTVS | 3.341 | C[C]12CC[CH]3[CH](CC[CH]4C[CH](O)CC[C]34C)[CH]1CC[CH]2O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C[C@]12CC[C@@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@H]4O)C)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC12CCC(CC1CCC3C2CCC4(C3CCC4O)C)O |
| InChI | InChI | 1.03 | InChI=1S/C19H32O2/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/h12-17,20-21H,3-11H2,1-2H3/t12-,13-,14-,15-,16-,17+,18-,19-/m0/s1 |
| InChIKey | InChI | 1.03 | CBMYJHIOYJEBSB-MFXFBURESA-N |
