17-乙酰氧基-5a-雄甾-2,16-二烯 基本信息
| 中文名称 | 17-乙酰氧基-5a-雄甾-2,16-二烯 |
|---|---|
| 中文同义词 | 17Β-乙酰氧基-5Α-雄甾烷-2,16-二烯;罗库溴铵中间体B;5??雄甾-2,16-二烯-17-醇乙酸酯;罗库溴铵中间体3;17-乙酰氧基-5a-雄甾-2,16-二烯;17-乙酰氧基-5Α-雄甾-2,16-二烯;罗库溴铵杂质1268;17-乙酰氧基-5Α-雄甾-2,16-二烯 (LK-3) |
| 英文名称 | 17-Acetoxy-5a-androsta-2,16-diene |
| 英文同义词 | 17-Acetoxy-5α-androsta-2,16-die;17-Acetoxy-5a-androsta-2,16-diene (5a)-Androsta-2,16-dien-17-ol 17-acetate;(5S,8R,9S,10S,13S,14S)-10,13-dimethyl-4,5,6,7,8,9,10,11,12,13,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl acetate;17-acetoxy-5alpha-androet-2,16-diene;Rocuronium Bromide Impurity 5;Rocuronium Impurity 12;Androsta-2,16-dien-17-ol,acetate,(5)-(9CI);17-Acetoxy-5alpha-androsta-2,16-diene |
| CAS号 | 50588-42-6 |
| 分子式 | C21H30O2 |
| 分子量 | 314.46 |
| EINECS号 | 610-545-1 |
| 相关类别 | 罗库溴铵相关中间体;INTERMEDIATESOFROCURONIUMBROMIDE |
| Mol文件 | 50588-42-6.mol |
| 结构式 |  |
17-乙酰氧基-5a-雄甾-2,16-二烯 性质
| 沸点 | 413.2±45.0 °C(Predicted) |
|---|---|
| 密度 | 1.07 |
| 蒸气压 | 0.001Pa at 25℃ |
| 储存条件 | 2-8°C |
| 溶解度 | 氯仿（微溶）、甲醇（微溶） |
| 形态 | 粉末 |
| InChI | InChI=1/C21H30O2/c1-14(22)23-19-10-9-17-16-8-7-15-6-4-5-12-20(15,2)18(16)11-13-21(17,19)3/h4-5,10,15-18H,6-9,11-13H2,1-3H3/t15-,16+,17+,18+,20+,21+/s3 |
| InChIKey | PEPMRHLQYPCJPR-ISHWDHFHNA-N |
| SMILES | C1C[C@@]2([H])[C@](C)(CC=1)[C@]1([H])[C@]([H])([C@@]3([H])[C@@](CC1)(C)C(OC(C)=O)=CC3)CC2 |&1:2,4,8,10,12,14,r| |
| LogP | 7.9 at 35℃ and pH7 |