(3alpha,5beta,7beta)-3,7-二羟基-胆烷-24-酸与 5-甲基-2-(1-甲基乙基)环己醇的混合物
[CAS# 122018-96-6]

基本信息

• 产品名称: (3alpha,5beta,7beta)-3,7-二羟基-胆烷-24-酸与 5-甲基-2-(1-甲基乙基)环己醇的混合物
• 英文名: (3alpha,5beta,7beta)-3,7-dihydroxy-Cholan-24-oic acid mixt. with 5-methyl-2-(1-methylethyl)cyclohexanol
• 别名: (4R)-4-[(3R,5S,7S,8R,9S,10S,13R,14S,17R)-3,7-Dihydroxy-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; 2-Isopropyl-5-Methyl-Cyclohexan-1-Ol; (4R)-4-[(3R,5S,7S,8R,9S,10S,13R,14S,17R)-3,7-Dihydroxy-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; 2-Isopropyl-5-Methyl-1-Cyclohexanol; (4R)-4-[(3R,5S,7S,8R,9S,10S,13R,14S,17R)-3,7-Dihydroxy-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; 2-Isopropyl-5-Methyl-Cyclohexan-1-Ol
• 分子式: C₃₄H₆₀O₅
• 分子量: 548.85
• CAS 登录号: 122018-96-6
• 分子行输入简码 SMILES: [C@H]23[C@H]1[C@@]([C@H](CC1)[C@@H](CCC(=O)O)C)(CC[C@@H]2[C@@]4([C@H](C[C@@H]3O)C[C@H](O)CC4)C)C.CC(C5C(O)CC(CC5)C)C
• 国际化学标识码 InChI: 1S/C24H40O4.C10H20O/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26;1-7(2)9-5-4-8(3)6-10(9)11/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28);7-11H,4-6H2,1-3H3/t14-,15+,16-,17-,18+,19+,20+,22+,23+,24-;/m1./s1
• 国际化学标识检索码 InChIKey: KJPXEYQYWBUMAF-FUXQPCDDSA-N

物理化学性质

• 沸点: 547.1°C at 760 mmHg （计算值）
• 闪点: 298.8°C （计算值）