5alpha-胆甾烷-3beta,5,6beta-三醇 6-乙酸酯 3-(琥珀酸氢酯)
[CAS# 10157-96-7]

基本信息

• 产品名称: 5alpha-胆甾烷-3beta,5,6beta-三醇 6-乙酸酯 3-(琥珀酸氢酯)
• 英文名: 5alpha-Cholestane-3beta,5,6beta-Triol 6-Acetate 3-(Hydrogen Succinate)
• 别名: 4-[[(3S,5R,6R,8S,9S,10R,13R,14S,17R)-6-Acetoxy-17-[(1R)-1,5-Dimethylhexyl]-5-Hydroxy-10,13-Dimethyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-Tetradecahydrocyclopenta[A]Phenanthren-3-Yl]Oxy]-4-Oxo-Butanoic Acid; 4-[[(3S,5R,6R,8S,9S,10R,13R,14S,17R)-6-Acetoxy-17-[(1R)-1,5-Dimethylhexyl]-5-Hydroxy-10,13-Dimethyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-Tetradecahydrocyclopenta[A]Phenanthren-3-Yl]Oxy]-4-Oxobutanoic Acid; 4-[[(3S,5R,6R,8S,9S,10R,13R,14S,17R)-6-Acetoxy-17-[(1R)-1,5-Dimethylhexyl]-5-Hydroxy-10,13-Dimethyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-Tetradecahydrocyclopenta[A]Phenanthren-3-Yl]Oxy]-4-Keto-Butyric Acid
• 分子式: C₃₃H₅₄O₇
• 分子量: 562.79
• CAS 登录号: 10157-96-7
• 分子行输入简码 SMILES: [C@@H]4([C@@H](CCCC(C)C)C)[C@@]3([C@H]([C@@H]2C[C@H]([C@]1(C[C@H](CC[C@@]1([C@H]2CC3)C)OC(CCC(=O)O)=O)O)OC(C)=O)CC4)C
• 国际化学标识码 InChI: 1S/C33H54O7/c1-20(2)8-7-9-21(3)25-10-11-26-24-18-28(39-22(4)34)33(38)19-23(40-30(37)13-12-29(35)36)14-17-32(33,6)27(24)15-16-31(25,26)5/h20-21,23-28,38H,7-19H2,1-6H3,(H,35,36)/t21-,23+,24+,25-,26+,27+,28-,31-,32-,33+/m1/s1
• 国际化学标识检索码 InChIKey: BRZHTUISXPQTLF-QYEGGRDRSA-N

物理化学性质

• 密度: 1.136g/cm³ （计算值）
• 沸点: 632.42°C at 760 mmHg （计算值）
• 闪点: 189.751°C （计算值）