(20E)-16-(nitromethyl)-20-[(propanoyloxy)imino]pregn-5-en-3-yl acetate
Chemical Structure Depiction of
(20E)-16-(nitromethyl)-20-[(propanoyloxy)imino]pregn-5-en-3-yl acetate
(20E)-16-(nitromethyl)-20-[(propanoyloxy)imino]pregn-5-en-3-yl acetate
Compound characteristics
| Compound ID: | 8013-1585 |
| Compound Name: | (20E)-16-(nitromethyl)-20-[(propanoyloxy)imino]pregn-5-en-3-yl acetate |
| Molecular Weight: | 488.62 |
| Molecular Formula: | C27 H40 N2 O6 |
| Smiles: | CCC(=O)O/N=C(\C)C1[C@@H](CC2C3CC=C4CC(CCC4(C)C3CCC12C)OC(C)=O)C[N+]([O-])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.5297 |
| logD: | 4.5281 |
| logSw: | -5.0285 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 89.457 |
| InChI Key: | XFJLKJQWWVLROM-VDWAQNJHSA-N |