(4R)-4-[(1S,3S,5S,7R,8S,9S,10S,13R,14S,17S)-1,3,7-三羟基-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]戊酸
[CAS# 107368-95-6]

基本信息

• 产品名称: (4R)-4-[(1S,3S,5S,7R,8S,9S,10S,13R,14S,17S)-1,3,7-三羟基-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]戊酸
• 英文名: (4R)-4-[(1S,3S,5S,7R,8S,9S,10S,13R,14S,17S)-1,3,7-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]Pentanoic Acid
• 别名: (4R)-4-[(1S,3S,5S,7R,8S,9S,10S,13R,14S,17S)-1,3,7-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]Valeric Acid; Cholan-24-Oic Acid, 1,3,7-Trihydroxy-, (1Alpha,3Alpha,5Beta,7Alpha)-; Vulpecholic Acid
• 分子式: C₂₄H₄₀O₅
• 分子量: 408.58
• CAS 登录号: 107368-95-6
• 分子行输入简码 SMILES: [C@H]1(C[C@@H]([C@]3([C@@H](C1)C[C@H]([C@H]4[C@@H]2CC[C@@H]([C@@H](CCC(=O)O)C)[C@@]2(C)CC[C@H]34)O)C)O)O
• 国际化学标识码 InChI: 1S/C24H40O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(8-9-23(16,17)2)24(3)14(11-19(22)26)10-15(25)12-20(24)27/h13-20,22,25-27H,4-12H2,1-3H3,(H,28,29)/t13-,14+,15+,16+,17+,18+,19-,20+,22+,23-,24+/m1/s1
• 国际化学标识检索码 InChIKey: GYUVAHWOVINGNE-CMXSPKJJSA-N

物理化学性质

• 密度: 1.185g/cm³ （计算值）
• 沸点: 583.876°C at 760 mmHg （计算值）
• 闪点: 320.956°C （计算值）