(14xi,20E)-20-(hydroxyimino)-16-[(1RS)-1-nitroethyl]-8xi,9xi-pregn-5-en-3-yl acetate
Chemical Structure Depiction of
(14xi,20E)-20-(hydroxyimino)-16-[(1RS)-1-nitroethyl]-8xi,9xi-pregn-5-en-3-yl acetate
(14xi,20E)-20-(hydroxyimino)-16-[(1RS)-1-nitroethyl]-8xi,9xi-pregn-5-en-3-yl acetate
Compound characteristics
| Compound ID: | 8006-6277 |
| Compound Name: | (14xi,20E)-20-(hydroxyimino)-16-[(1RS)-1-nitroethyl]-8xi,9xi-pregn-5-en-3-yl acetate |
| Molecular Weight: | 446.59 |
| Molecular Formula: | C25 H38 N2 O5 |
| Smiles: | CC([C@@H]1CC2C3CC=C4C[C@H](CC[C@]4(C)C3CC[C@]2(C)[C@H]1C(/C)=N/O)OC(C)=O)[N+]([O-])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.2799 |
| logD: | 4.2656 |
| logSw: | -4.8326 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.35 |
| InChI Key: | VOETZVYTDQTIBX-ZHRLMZBUSA-N |