BDT
Summary
Name: | 5-beta-DIHYDROTESTOSTERONE |
Synonyms: | (5beta,8alpha,17beta)-17-hydroxyandrostan-3-one |
Formula: | C19 H30 O2 |
Formal charge: | 0 |
Formula weight: | 290.44 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 10.04 | (5beta,8alpha,17beta)-17-hydroxyandrostan-3-one |
OpenEye OEToolkits | 1.5.0 | (5R,8R,9S,10S,13S,14S,17S)-17-hydroxy-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C2CC1CCC3C(C1(C)CC2)CCC4(C3CCC4O)C |
SMILES_CANONICAL | CACTVS | 3.341 | C[C@]12CC[C@H]3[C@@H](CC[C@@H]4CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2O |
SMILES | CACTVS | 3.341 | C[C]12CC[CH]3[CH](CC[CH]4CC(=O)CC[C]34C)[CH]1CC[CH]2O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C[C@]12CCC(=O)C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4O)C |
SMILES | OpenEye OEToolkits | 1.5.0 | CC12CCC(=O)CC1CCC3C2CCC4(C3CCC4O)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/h12,14-17,21H,3-11H2,1-2H3/t12-,14+,15+,16+,17+,18+,19+/m1/s1 |
InChIKey | InChI | 1.03 | NVKAWKQGWWIWPM-MISPCMORSA-N |