3a,7a-二羟基-5b-胆-11-烯-24-酸甲酯二乙酸酯
[CAS# 2284-36-8]

基本信息

• 产品名称: 3a,7a-二羟基-5b-胆-11-烯-24-酸甲酯二乙酸酯
• 英文名: 3a,7a-Dihydroxy-5b-Chol-11-en-24-oic acid methyl ester diacetate
• 别名: Methyl (4R)-4-[(3R,5S,8S,9S,10S,13R,14S,17R)-3,7-Diacetoxy-10,13-Dimethyl-2,3,4,5,6,7,8,9,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-17-Yl]Pentanoate; (4R)-4-[(3R,5S,8S,9S,10S,13R,14S,17R)-3,7-Diacetoxy-10,13-Dimethyl-2,3,4,5,6,7,8,9,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-17-Yl]Pentanoic Acid Methyl Ester; (4R)-4-[(3R,5S,8S,9S,10S,13R,14S,17R)-3,7-Diacetoxy-10,13-Dimethyl-2,3,4,5,6,7,8,9,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-17-Yl]Valeric Acid Methyl Ester
• 分子式: C₂₉H₄₄O₆
• 分子量: 488.66
• CAS 登录号: 2284-36-8
• EINECS 登录号: 218-923-4
• 分子行输入简码 SMILES: [C@]34([C@H]([C@H]1[C@@H]([C@@]2([C@H](CC1OC(=O)C)C[C@H](OC(=O)C)CC2)C)C=C3)CC[C@@H]4[C@@H](CCC(=O)OC)C)C
• 国际化学标识码 InChI: 1S/C29H44O6/c1-17(7-10-26(32)33-6)22-8-9-23-27-24(12-14-29(22,23)5)28(4)13-11-21(34-18(2)30)15-20(28)16-25(27)35-19(3)31/h12,14,17,20-25,27H,7-11,13,15-16H2,1-6H3/t17-,20+,21-,22-,23+,24+,25?,27+,28+,29-/m1/s1
• 国际化学标识检索码 InChIKey: CZAQECWMDFKTQA-QPCLIUJTSA-N

物理化学性质

• 密度: 1.122g/cm³ （计算值）
• 沸点: 529.986°C at 760 mmHg （计算值）
• 闪点: 221.078°C （计算值）