(4R)-4-[(7Z,8R,9S,10S,13R,14S,17R)-3-羟基-7-羟基亚胺-10,13-二甲基-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]戊酸
[CAS# 131204-64-3]

基本信息

• 产品名称: (4R)-4-[(7Z,8R,9S,10S,13R,14S,17R)-3-羟基-7-羟基亚胺-10,13-二甲基-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]戊酸
• 英文名: (4R)-4-[(7Z,8R,9S,10S,13R,14S,17R)-3-Hydroxy-7-Hydroxyimino-10,13-Dimethyl-1,2,3,4,5,6,8,9,11,12,14,15,16,17-Tetradecahydrocyclopenta[a]Phenanthren-17-Yl]Pentanoic Acid
• 别名: (4R)-4-[(7Z,8R,9S,10S,13R,14S,17R)-7-Hydroximino-3-Hydroxy-10,13-Dimethyl-1,2,3,4,5,6,8,9,11,12,14,15,16,17-Tetradecahydrocyclopenta[A]Phenanthren-17-Yl]Valeric Acid; 3-Hydroxy-7-(Hydroxyimino)Cholanic Acid; Hhca
• 分子式: C₂₄H₃₉NO₄
• 分子量: 405.58
• CAS 登录号: 131204-64-3
• 分子行输入简码 SMILES: [C@H]2\3[C@H]1[C@@]([C@H](CC1)[C@@H](CCC(=O)O)C)(CC[C@@H]2[C@@]4(C(CC3=N/O)CC(O)CC4)C)C
• 国际化学标识码 InChI: 1S/C24H39NO4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(26)12-15(23)13-20(22)25-29/h14-19,22,26,29H,4-13H2,1-3H3,(H,27,28)/b25-20-/t14-,15?,16?,17-,18+,19+,22+,23+,24-/m1/s1
• 国际化学标识检索码 InChIKey: BTJWQMQHCORTED-MBKKHDIZSA-N

物理化学性质

• 密度: 1.323g/cm³ （计算值）
• 沸点: 576.506°C at 760 mmHg （计算值）
• 闪点: 302.46°C （计算值）