2-(羟基甲基)丙烯酸 9-(氯甲基)十二氢-8,9-二羟基-3,6-二亚甲基-2-氧代薁并[4,5-b]呋喃-4-基酯
[CAS# 64205-85-2]

基本信息

• 产品名称: 2-(羟基甲基)丙烯酸 9-(氯甲基)十二氢-8,9-二羟基-3,6-二亚甲基-2-氧代薁并[4,5-b]呋喃-4-基酯
• 英文名: 2-(Hydroxymethyl)Propenoic Acid 9-(Chloromethyl)Dodecahydro-8,9-Dihydroxy-3,6-Dimethylene-2-Oxoazuleno[4,5-b]Furan-4-Yl Ester
• 别名: [(3Ar,4S,6Ar,8S,9S,9As,9Bs)-9-(Chloromethyl)-8,9-Dihydroxy-3,6-Dimethylene-2-Oxo-3A,4,5,6A,7,8,9A,9B-Octahydroazuleno[4,5-B]Furan-4-Yl] 2-(Hydroxymethyl)Prop-2-Enoate; 2-(Hydroxymethyl)Prop-2-Enoic Acid [(3Ar,4S,6Ar,8S,9S,9As,9Bs)-9-(Chloromethyl)-8,9-Dihydroxy-3,6-Dimethylene-2-Oxo-3A,4,5,6A,7,8,9A,9B-Octahydroazuleno[4,5-B]Furan-4-Yl] Ester; 2-Methylolacrylic Acid [(3Ar,4S,6Ar,8S,9S,9As,9Bs)-9-(Chloromethyl)-8,9-Dihydroxy-2-Keto-3,6-Dimethylene-3A,4,5,6A,7,8,9A,9B-Octahydroazuleno[5,4-D]Furan-4-Yl] Ester
• 分子式: C₁₉H₂₃ClO₇
• 分子量: 398.84
• CAS 登录号: 64205-85-2
• 分子行输入简码 SMILES: [C@@H]23[C@@H]1[C@H](C(=C)C(O1)=O)[C@@H](OC(C(=C)CO)=O)CC([C@@H]2C[C@@H]([C@]3(O)CCl)O)=C
• 国际化学标识码 InChI: 1S/C19H23ClO7/c1-8-4-12(26-17(23)9(2)6-21)14-10(3)18(24)27-16(14)15-11(8)5-13(22)19(15,25)7-20/h11-16,21-22,25H,1-7H2/t11-,12-,13-,14+,15-,16-,19+/m0/s1
• 国际化学标识检索码 InChIKey: UHEMKMBRGXUBMJ-URUZQALBSA-N

物理化学性质

• 密度: 1.405g/cm³ （计算值）
• 沸点: 607.861°C at 760 mmHg （计算值）
• 闪点: 321.423°C （计算值）

参考文献

• (1): G. Mattern, E. Weckert, D. Youssef and A. W. Frahm. Absolute Configuration of Chlorojanerin, a Chlorine-Containing Guaianolide from Centaurea scoparia, Acta Cryst. (1996). C52, 1791-1793