Trilobolide
[CAS# 50657-07-3]

基本信息

• 产品名称: Trilobolide
• 英文名: Trilobolide
• 别名: [(3S,3Ar,4S,6S,6As,8R,9Bs)-6-Acetoxy-3,3A-Dihydroxy-3,6,9-Trimethyl-4-[(2S)-2-Methylbutanoyl]Oxy-2-Oxo-4,5,6A,7,8,9B-Hexahydroazuleno[4,5-B]Furan-8-Yl] (Z)-2-Methylbut-2-Enoate; (Z)-2-Methylbut-2-Enoic Acid [(3S,3Ar,4S,6S,6As,8R,9Bs)-6-Acetoxy-3,3A-Dihydroxy-3,6,9-Trimethyl-4-[(2S)-2-Methyl-1-Oxobutoxy]-2-Oxo-4,5,6A,7,8,9B-Hexahydroazuleno[4,5-B]Furan-8-Yl] Ester; (Z)-2-Methylbut-2-Enoic Acid [(3S,3Ar,4S,6S,6As,8R,9Bs)-6-Acetoxy-3,3A-Dihydroxy-2-Keto-3,6,9-Trimethyl-4-[(2S)-2-Methylbutanoyl]Oxy-4,5,6A,7,8,9B-Hexahydroazuleno[4,5-B]Furan-8-Yl] Ester
• 分子式: C₂₇H₃₈O₁₀
• 分子量: 522.59
• CAS 登录号: 50657-07-3
• 分子行输入简码 SMILES: [C@]13(O)[C@@H](OC(=O)[C@]1(O)C)C2=C([C@H](OC(=O)C(/C)=C\C)C[C@@H]2[C@@](OC(=O)C)(C[C@@H]3OC(=O)[C@H](CC)C)C)C
• 国际化学标识码 InChI: 1S/C27H38O10/c1-9-13(3)22(29)34-18-11-17-20(15(18)5)21-27(33,26(8,32)24(31)36-21)19(35-23(30)14(4)10-2)12-25(17,7)37-16(6)28/h9,14,17-19,21,32-33H,10-12H2,1-8H3/b13-9-/t14-,17-,18+,19-,21-,25-,26+,27+/m0/s1
• 国际化学标识检索码 InChIKey: FIAZIVNRHQWTPY-QAAPNFDWSA-N

物理化学性质

• 密度: 1.272g/cm³ （计算值）
• 沸点: 602.227°C at 760 mmHg （计算值）
• 闪点: 190.24°C （计算值）

参考文献

• (1): Andrews Stephen P., Ball Matthew, Wierschem Frank, Cleator Ed, Oliver Steven, Högenauer Klemens, Simic Oliver, Antonello Alessandra, Hünger Udo, Smith Martin D., Ley Steven V.. Total Synthesis of Five Thapsigargins: Guaianolide Natural Products Exhibiting Sub-Nanomolar SERCA Inhibition, Chemistry - A European Journal, 2007