2-氟-3-[[(4R)-4-[(3R,5S,7R,10S,12S,13R,17R)-3,7,12-三羟基-10,13-二甲基-2,3,4,5,6,7,8,9,11,12,14,15,16,17-十四氢-1H-环戊二烯并[a]菲-17-基]戊酰]氨基]丙酸
[CAS# 110501-27-4]

基本信息

• 产品名称: 2-氟-3-[[(4R)-4-[(3R,5S,7R,10S,12S,13R,17R)-3,7,12-三羟基-10,13-二甲基-2,3,4,5,6,7,8,9,11,12,14,15,16,17-十四氢-1H-环戊二烯并[a]菲-17-基]戊酰]氨基]丙酸
• 英文名: 2-Fluoro-3-[[(4R)-4-[(3R,5S,7R,10S,12S,13R,17R)-3,7,12-Trihydroxy-10,13-Dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[a]Phenanthren-17-Yl]Pentanoyl]Amino]Propanoic Acid
• 别名: 2-Fluoro-3-[[(4R)-1-Oxo-4-[(3R,5S,7R,10S,12S,13R,17R)-3,7,12-Trihydroxy-10,13-Dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[A]Phenanthren-17-Yl]Pentyl]Amino]Propanoic Acid; 2-Fluoro-3-[[(4R)-4-[(3R,5S,7R,10S,12S,13R,17R)-3,7,12-Trihydroxy-10,13-Dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[A]Phenanthren-17-Yl]Pentanoyl]Amino]Propionic Acid; Propanoic Acid, 2-Fluoro-3-(((3Alpha,5Beta,7Alpha,12Alpha)-3,7,12-Trihydroxy-24-Oxocholan-24-Yl)Amino)-
• 分子式: C₂₇H₄₄FNO₆
• 分子量: 497.65
• CAS 登录号: 110501-27-4
• 分子行输入简码 SMILES: [C@]34(C(C1C([C@@]2([C@H](C[C@H]1O)C[C@H](O)CC2)C)C[C@@H]3O)CC[C@@H]4[C@@H](CCC(=O)NCC(F)C(=O)O)C)C
• 国际化学标识码 InChI: 1S/C27H44FNO6/c1-14(4-7-23(33)29-13-20(28)25(34)35)17-5-6-18-24-19(12-22(32)27(17,18)3)26(2)9-8-16(30)10-15(26)11-21(24)31/h14-22,24,30-32H,4-13H2,1-3H3,(H,29,33)(H,34,35)/t14-,15+,16-,17-,18?,19?,20?,21-,22+,24?,26+,27-/m1/s1
• 国际化学标识检索码 InChIKey: XPDXADLFWGSPSP-DRRSVZEQSA-N

物理化学性质

• 密度: 1.225g/cm³ （计算值）
• 沸点: 705.93°C at 760 mmHg （计算值）
• 闪点: 380.733°C （计算值）