
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 57935-66-7 |
| Catalog No. | 2A-1196311 |
| Chinese Name | 尼麦角林杂质Ⅵ(EP杂质E) |
| Molecular Formula | C23H24BrN3O3 |
| Molecular Weight | 470.37 |
| Purity | 98.00 |
| Density | 1.54±0.1 g/cm3(Predicted) |
| Boiling Point | 621.7±55.0 °C(Predicted) |
| PubChem ID | 470655720 |
| SMILES | CN1CC(COC(=O)c2cncc(Br)c2)CC2(O)c3cccc4c3c(cn4C)CC12 |
| InChI | InChI=1S/C23H24BrN3O3/c1-26-12-16-7-20-23(29,18-4-3-5-19(26)21(16)18)8-14(11-27(20)2)13-30-22(28)15-6-17(24)10-25-9-15/h3-6,9-10,12,14,20,29H,7-8,11,13H2,1-2H3/t14-,20-,23+/m1/s1 |
| InChI Key | PCKJONBQKJQXEK-ZTWLPKFNSA-N |
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