50588-42-6
中文名称
17-乙酰氧基-5a-雄甾-2,16-二烯
英文名称
17-Acetoxy-5a-androsta-2,16-diene
CAS
50588-42-6
分子式
C21H30O2
分子量
314.46
MOL 文件
50588-42-6.mol
更新日期
2026/05/11 12:18:25
50588-42-6 结构式
基本信息
中文别名
罗库溴铵中间体B罗库溴铵中间体3
17-乙酰氧基-5Α-雄甾-2,16-二烯
17-乙酰氧基-5a-雄甾-2,16-二烯
5??雄甾-2,16-二烯-17-醇乙酸酯
17Β-乙酰氧基-5Α-雄甾烷-2,16-二烯
英文别名
Rocuronium Impurity 12RocuroniuM interMediate B
Rocuronium Bromide Impurity 5
17-Acetoxy-5α-androsta-2,16-die
17-Acetoxy-5α-androet-2,16-diene
7-Acetoxy-5a-androsta-2,16-diene
17-acetoxy-5a-androsta-2,16-diene
17-Acetoxy-5α-androsta-2,16-diene
17-Acetoxy-5α-androsta-2,16-diene
17-acetoxy-5alpha-androet-2,16-diene
所属类别
医药中间体：原料药中间体物理化学性质
沸点413.2±45.0 °C(Predicted)
密度1.07
蒸气压0.001Pa at 25℃
储存条件Sealed in dry,2-8°C
溶解度Chloroform (Sparingly), Methanol (Slightly)
形态Powder
InChIInChI=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
InChIKeyPEPMRHLQYPCJPR-ISHWDHFHNA-N
SMILESC1C[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|
LogP7.9 at 35℃ and pH7
