(5R,6S)-5-羟基-2-甲基-6-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,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]庚酸
[CAS# 121569-59-3]

基本信息

• 产品名称: (5R,6S)-5-羟基-2-甲基-6-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,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]庚酸
• 英文名: (5R,6S)-5-Hydroxy-2-Methyl-6-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,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]Heptanoic Acid
• 别名: (5R,6S)-5-Hydroxy-2-Methyl-6-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,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]Enanthic Acid; 3,7,12,22-Tetrahydroxycholestanoic Acid; 3Alpha,7Alpha,12Alpha,22-Tetrahydroxy-5Beta-Cholestanoic Acid
• 分子式: C₂₇H₄₆O₆
• 分子量: 466.66
• CAS 登录号: 121569-59-3
• 分子行输入简码 SMILES: [C@H]1(CC[C@]3([C@@H](C1)C[C@H]([C@H]4[C@@H]2CC[C@H]([C@@H]([C@@H](CCC(C(=O)O)C)O)C)[C@@]2(C)[C@H](C[C@H]34)O)O)C)O
• 国际化学标识码 InChI: 1S/C27H46O6/c1-14(25(32)33)5-8-21(29)15(2)18-6-7-19-24-20(13-23(31)27(18,19)4)26(3)10-9-17(28)11-16(26)12-22(24)30/h14-24,28-31H,5-13H2,1-4H3,(H,32,33)/t14?,15-,16-,17+,18+,19-,20-,21+,22+,23-,24-,26-,27+/m0/s1
• 国际化学标识检索码 InChIKey: MDFNVHMQCZHMCN-MJEQSDNOSA-N

物理化学性质

• 密度: 1.189g/cm³ （计算值）
• 沸点: 640.159°C at 760 mmHg （计算值）
• 闪点: 354.957°C （计算值）