rel-(8xi,9xi,14xi,20Z)-20-[(acetyloxy)imino]-16-(nitromethyl)pregn-5-en-3-yl acetate
Chemical Structure Depiction of
rel-(8xi,9xi,14xi,20Z)-20-[(acetyloxy)imino]-16-(nitromethyl)pregn-5-en-3-yl acetate
rel-(8xi,9xi,14xi,20Z)-20-[(acetyloxy)imino]-16-(nitromethyl)pregn-5-en-3-yl acetate
Compound characteristics
| Compound ID: | 8007-8337 |
| Compound Name: | rel-(8xi,9xi,14xi,20Z)-20-[(acetyloxy)imino]-16-(nitromethyl)pregn-5-en-3-yl acetate |
| Molecular Weight: | 474.6 |
| Molecular Formula: | C26 H38 N2 O6 |
| Smiles: | C/C([C@H]1[C@@H](CC2C3CC=C4C[C@H](CC[C@]4(C)C3CC[C@]12C)OC(C)=O)C[N+]([O-])=O)=N/OC(C)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.0427 |
| logD: | 4.0411 |
| logSw: | -4.7882 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 90.154 |
| InChI Key: | YLMHXCVWMFRELH-LMTNFGFTSA-N |