rel-(9xi,14xi,17xi,20xi)-6-nitro-8xi-cholest-5-en-3-yl acetate
Chemical Structure Depiction of
rel-(9xi,14xi,17xi,20xi)-6-nitro-8xi-cholest-5-en-3-yl acetate
rel-(9xi,14xi,17xi,20xi)-6-nitro-8xi-cholest-5-en-3-yl acetate
Compound characteristics
| Compound ID: | 2189-0117 |
| Compound Name: | rel-(9xi,14xi,17xi,20xi)-6-nitro-8xi-cholest-5-en-3-yl acetate |
| Molecular Weight: | 473.7 |
| Molecular Formula: | C29 H47 N O4 |
| Smiles: | CC(C)CCCC(C)C1CCC2C3CC(=C4CC(CC[C@]4(C)C3CC[C@]12C)OC(C)=O)[N+]([O-])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.8746 |
| logD: | 6.8746 |
| logSw: | -5.7684 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 54.658 |
| InChI Key: | HBNDZPJHNAAEAB-ASDLLAFLSA-N |