吉妥辛配基 3,16-二乙酸酯
[CAS# 5996-03-2]

基本信息

• 产品名称: 吉妥辛配基 3,16-二乙酸酯
• 英文名: Gitoxigenin 3,16-Diacetate
• 别名: [(3S,5R,10S,13R,14S,16S,17R)-3-Acetoxy-14-Hydroxy-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] Acetate; Acetic Acid [(3S,5R,10S,13R,14S,16S,17R)-3-Acetoxy-14-Hydroxy-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-Acetoxy-14-Hydroxy-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
• 分子式: C₂₇H₃₈O₇
• 分子量: 474.59
• CAS 登录号: 5996-03-2
• 分子行输入简码 SMILES: [C@]34([C@@](O)(C1C([C@@]2([C@H](CC1)C[C@@H](OC(=O)C)CC2)C)CC3)C[C@H](OC(=O)C)[C@@H]4C5=CC(OC5)=O)C
• 国际化学标识码 InChI: 1S/C27H38O7/c1-15(28)33-19-7-9-25(3)18(12-19)5-6-21-20(25)8-10-26(4)24(17-11-23(30)32-14-17)22(34-16(2)29)13-27(21,26)31/h11,18-22,24,31H,5-10,12-14H2,1-4H3/t18-,19+,20?,21?,22+,24+,25+,26-,27+/m1/s1
• 国际化学标识检索码 InChIKey: ANNNOIZFDGPVNC-UZGQUCAOSA-N

物理化学性质

• 密度: 1.246g/cm³ （计算值）
• 沸点: 589.151°C at 760 mmHg （计算值）
• 闪点: 190.888°C （计算值）