2-[[(4R)-4-[(3R,5S,10S,13R,17R)-3-羟基-10,13-二甲基-7-氧代-1,2,3,4,5,6,8,9,11,12,14,15,16,17-十四氢环戊烯并[a]菲-17-基]戊酰]氨基]乙烷磺酸
[CAS# 75808-01-4]

基本信息

• 产品名称: 2-[[(4R)-4-[(3R,5S,10S,13R,17R)-3-羟基-10,13-二甲基-7-氧代-1,2,3,4,5,6,8,9,11,12,14,15,16,17-十四氢环戊烯并[a]菲-17-基]戊酰]氨基]乙烷磺酸
• 英文名: 2-[[(4R)-4-[(3R,5S,10S,13R,17R)-3-Hydroxy-10,13-Dimethyl-7-Oxo-1,2,3,4,5,6,8,9,11,12,14,15,16,17-Tetradecahydrocyclopenta[a]Phenanthren-17-Yl]Pentanoyl]Amino]Ethanesulfonic Acid
• 别名: 2-[[(4R)-4-[(3R,5S,10S,13R,17R)-3-Hydroxy-10,13-Dimethyl-7-Oxo-1,2,3,4,5,6,8,9,11,12,14,15,16,17-Tetradecahydrocyclopenta[A]Phenanthren-17-Yl]-1-Oxopentyl]Amino]Ethanesulfonic Acid; 2-[[(4R)-4-[(3R,5S,10S,13R,17R)-3-Hydroxy-7-Keto-10,13-Dimethyl-1,2,3,4,5,6,8,9,11,12,14,15,16,17-Tetradecahydrocyclopenta[A]Phenanthren-17-Yl]Pentanoyl]Amino]Ethanesulfonic Acid; 3-Hydroxy-7-Oxocholanoyltaurine
• 分子式: C₂₆H₄₃NO₆S
• 分子量: 497.69
• CAS 登录号: 75808-01-4
• 分子行输入简码 SMILES: [C@@H]4([C@@H](CCC(NCC[S](=O)(=O)O)=O)C)[C@@]3(C(C2C(C[C@@H]1C[C@@H](CC[C@@]1(C2CC3)C)O)=O)CC4)C
• 国际化学标识码 InChI: 1S/C26H43NO6S/c1-16(4-7-23(30)27-12-13-34(31,32)33)19-5-6-20-24-21(9-11-26(19,20)3)25(2)10-8-18(28)14-17(25)15-22(24)29/h16-21,24,28H,4-15H2,1-3H3,(H,27,30)(H,31,32,33)/t16-,17+,18-,19-,20?,21?,24?,25+,26-/m1/s1
• 国际化学标识检索码 InChIKey: QNRIYEYAHVEGQJ-ANIRCPOUSA-N

物理化学性质

• 密度: 1.213g/cm³ （计算值）