3beta,14,16beta-三羟基-5-beta心甾-20(22)-烯内酯 16-乙酸酯
[CAS# 465-15-6]

基本信息

• 产品名称: 3beta,14,16beta-三羟基-5-beta心甾-20(22)-烯内酯 16-乙酸酯
• 英文名: 3beta,14,16beta-Trihydroxy-5-betacard-20(22)-Enolide 16-Acetate
• 别名: Acetic Acid [(3S,5R,10S,13R,14S,16S,17R)-3,14-Dihydroxy-10,13-Dimethyl-17-(5-Oxo-2H-Furan-3-Yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-Tetradecahydrocyclopenta[A]Phenanthren-16-Yl] Ester; Acetic Acid [(3S,5R,10S,13R,14S,16S,17R)-3,14-Dihydroxy-17-(5-Keto-2H-Furan-3-Yl)-10,13-Dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-Tetradecahydrocyclopenta[A]Phenanthren-16-Yl] Ester; [(3S,5R,10S,13R,14S,16S,17R)-3,14-Dihydroxy-10,13-Dimethyl-17-(5-Oxo-2H-Furan-3-Yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-Tetradecahydrocyclopenta[A]Phenanthren-16-Yl] Ethanoate
• 分子式: C₂₅H₃₆O₆
• 分子量: 432.56
• CAS 登录号: 465-15-6
• EINECS 登录号: 207-359-4
• 分子行输入简码 SMILES: [C@]24([C@@]([C@@H](C1=CC(=O)OC1)[C@H](C2)OC(=O)C)(CCC5[C@]3(CC[C@@H](C[C@H]3CCC45)O)C)C)O
• 国际化学标识码 InChI: 1S/C25H36O6/c1-14(26)31-20-12-25(29)19-5-4-16-11-17(27)6-8-23(16,2)18(19)7-9-24(25,3)22(20)15-10-21(28)30-13-15/h10,16-20,22,27,29H,4-9,11-13H2,1-3H3/t16-,17+,18?,19?,20+,22+,23+,24-,25+/m1/s1
• 国际化学标识检索码 InChIKey: IWCNCUVTGOMGKG-KMESBTIVSA-N

物理化学性质

• 密度: 1.261g/cm³ （计算值）
• 沸点: 584.61°C at 760 mmHg （计算值）
• 闪点: 194.946°C （计算值）