甲基(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7-二乙酰氧基-12-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]戊酸酯
[CAS# 3749-87-9]

基本信息

• 产品名称: 甲基(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7-二乙酰氧基-12-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]戊酸酯
• 英文名: Methyl (4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7-Diacetyloxy-12-Hydroxy-10,13-Dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[a]Phenanthren-17-Yl]Pentanoate
• 别名: Methyl (4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7-Diacetoxy-12-Hydroxy-10,13-Dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[A]Phenanthren-17-Yl]Pentanoate; (4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7-Diacetoxy-12-Hydroxy-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 Methyl Ester; (4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7-Diacetoxy-12-Hydroxy-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 Methyl Ester
• 分子式: C₂₉H₄₆O₇
• 分子量: 506.68
• CAS 登录号: 3749-87-9
• EINECS 登录号: 223-151-6
• 分子行输入简码 SMILES: [C@]34([C@H]([C@H]1[C@@H]([C@@]2([C@H](C[C@H]1OC(=O)C)C[C@H](OC(=O)C)CC2)C)C[C@@H]3O)CC[C@@H]4[C@@H](CCC(=O)OC)C)C
• 国际化学标识码 InChI: 1S/C29H46O7/c1-16(7-10-26(33)34-6)21-8-9-22-27-23(15-25(32)29(21,22)5)28(4)12-11-20(35-17(2)30)13-19(28)14-24(27)36-18(3)31/h16,19-25,27,32H,7-15H2,1-6H3/t16-,19+,20-,21-,22+,23+,24-,25+,27+,28+,29-/m1/s1
• 国际化学标识检索码 InChIKey: VKXXPYARELKQOY-CXFLVZIOSA-N

物理化学性质

• 密度: 1.151g/cm³ （计算值）
• 沸点: 561.042°C at 760 mmHg （计算值）
• 闪点: 171.562°C （计算值）