化工社化工社化学信息打印报告 · 仅供科研参考
[(5S,6R,7S,8R,9S,10R,13S,17R)-6-hydroxy-17-[(2S)-2-hydroxy-5-oxo-2H-furan-3-yl]-4,4,8,10,13-pentamethyl-3-oxo-5,6,7,9,11,12,16,17-octahydrocyclopenta[a]phenanthren-7-yl] acetate
![[(5S,6R,7S,8R,9S,10R,13S,17R)-6-hydroxy-17-[(2S)-2-hydroxy-5-oxo-2H-furan-3-yl]-4,4,8,10,13-pentamethyl-3-oxo-5,6,7,9,11,12,16,17-octahydrocyclopenta[a]phenanthren-7-yl] acetate 分子结构式](/img/chemical/178963243.png)
标识与物理属性
| 分子式 | C28H36O7 |
|---|---|
| 平均分子量 | 484.6 g/mol |
| 单同位素质量 | 484.24610349 g/mol |
| SMILES | CC(=O)O[C@@H]1[C@H](O)[C@@H]2C(C)(C)C(=O)C=C[C@]2(C)[C@@H]2CC[C@]3(C)C(=CC[C@H]3C3=CC(=O)O[C@@H]3O)[C@]12C |
| InChIKey | UFRCPJTWTQCCQS-PTBUIYHYSA-N |
化学与物理性质
| XLogP | 3 |
|---|---|
| 极性表面积 | 110 |
| 氢键供体 | 2 |
| 氢键受体 | 7 |
| 可旋转键 | 3 |
| 重原子 | 35 |
| 形式电荷 | 0 |
| 复杂度 | 1,100 |