rel-(14xi,20Z)-20-[2-(2,4-dinitrophenyl)hydrazinylidene]-16-(nitromethyl)-8xi,9xi-pregn-5-en-3-ol
Chemical Structure Depiction of
rel-(14xi,20Z)-20-[2-(2,4-dinitrophenyl)hydrazinylidene]-16-(nitromethyl)-8xi,9xi-pregn-5-en-3-ol
rel-(14xi,20Z)-20-[2-(2,4-dinitrophenyl)hydrazinylidene]-16-(nitromethyl)-8xi,9xi-pregn-5-en-3-ol
Compound characteristics
| Compound ID: | 8007-7968 |
| Compound Name: | rel-(14xi,20Z)-20-[2-(2,4-dinitrophenyl)hydrazinylidene]-16-(nitromethyl)-8xi,9xi-pregn-5-en-3-ol |
| Molecular Weight: | 555.63 |
| Molecular Formula: | C28 H37 N5 O7 |
| Smiles: | C/C([C@H]1[C@@H](CC2C3CC=C4C[C@H](CC[C@]4(C)C3CC[C@]12C)O)C[N+]([O-])=O)=N/Nc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.1792 |
| logD: | 6.1776 |
| logSw: | -5.8659 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 140.118 |
| InChI Key: | SXJXXDFKTCCRQQ-LFWGRLHBSA-N |