20-O-Acetylingenol-3-angelate-

正式名称为(2Z)-2-methyl-2-butenoic acid, (1aR,2S,5R,5aS,6S,8aS,9R,10aR)-4-[(acetyloxy)methyl]-1a,2,5,5a,6,9,10,10a-octahydro-5,5a-dihydroxy-1,1,7,9-tetramethyl-11-oxo-1H-2,8a-methanocyclopenta[a]cyclopropa[e]cyclodecen-6-yl ester。CAS号为82425-35-2。别名为AAI、3-O-Angeloyl-20-O-acetyl Ingenol、PEP008。分子式为C27H36O7。分子量为472.6。纯度≥95%。制剂（可按要求更改配方）为固体。其SMILES为：O[C@@]12[C@]3(C=C([C@@H]2OC(/C(C)=C\C)=O)C)C([C@](C=C([C@H]1O)COC(C)=O)([H])[C@@]4([H])[C@@](C4(C)C)([H])C[C@H]3C)=O，InChI代码为：InChI=1S/C27H36O7/c1-8-13(2)24(31)34-23-14(3)11-26-15(4)9-19-20(25(19,6)7)18(22(26)30)10-17(12-33-16(5)28)21(29)27(23,26)32/h8,10-11,15,18-21,23,29,32H,9,12H2,1-7H3/b13-8-/t15-,18+,19-,20+,21-,23+,26+,27+/m1/s1，InChI密钥为：ZYCAGKYWXRKLSN-KLKWOBOISA-N。来源：植物/京大戟（Euphorbia pekinensis Rupr.）。