二脱乙酰基叶下珠醇抑制剂3
[CAS# 132282-95-2]

基本信息

• 产品名称: 二脱乙酰基叶下珠醇抑制剂3
• 英文名: Didesacetylphyllanthostatin 3
• 别名: [4,5-Dihydroxy-6-Methyl-3-(3,4,5-Trihydroxy-6-Methyl-Tetrahydropyran-2-Yl)Oxy-Tetrahydropyran-2-Yl] 3-Hydroxy-3-(Hydroxymethyl)-5'-Methyl-4'-[(E)-3-Phenylprop-2-Enoyl]Oxy-Spiro[3A,4,5,6,7,7A-Hexahydrobenzofuran-2,2'-Tetrahydropyran]-6-Carboxylate; 3-Hydroxy-3-(Hydroxymethyl)-5'-Methyl-4'-[(E)-1-Oxo-3-Phenylprop-2-Enoxy]-6-Spiro[3A,4,5,6,7,7A-Hexahydrobenzofuran-2,2'-Tetrahydropyran]Carboxylic Acid [4,5-Dihydroxy-6-Methyl-3-[(3,4,5-Trihydroxy-6-Methyl-2-Tetrahydropyranyl)Oxy]-2-Tetrahydropyranyl] Ester; 3-Hydroxy-5'-Methyl-3-Methylol-4'-[(E)-3-Phenylacryloyl]Oxy-Spiro[3A,4,5,6,7,7A-Hexahydrobenzofuran-2,2'-Tetrahydropyran]-6-Carboxylic Acid [4,5-Dihydroxy-6-Methyl-3-(3,4,5-Trihydroxy-6-Methyl-Tetrahydropyran-2-Yl)Oxy-Tetrahydropyran-2-Yl] Ester
• 分子式: C₃₆H₅₀O₁₆
• 分子量: 738.78
• CAS 登录号: 132282-95-2
• 分子行输入简码 SMILES: C6=C(/C=C/C(OC1CC5(OCC1C)OC4CC(C(=O)OC3C(OC2C(C(C(C(O2)C)O)O)O)C(C(C(O3)C)O)O)CCC4C5(O)CO)=O)C=CC=C6
• 国际化学标识码 InChI: 1S/C36H50O16/c1-17-15-46-36(14-24(17)49-25(38)12-9-20-7-5-4-6-8-20)35(45,16-37)22-11-10-21(13-23(22)52-36)32(44)51-34-31(29(42)27(40)19(3)48-34)50-33-30(43)28(41)26(39)18(2)47-33/h4-9,12,17-19,21-24,26-31,33-34,37,39-43,45H,10-11,13-16H2,1-3H3/b12-9+
• 国际化学标识检索码 InChIKey: NFIKENQZHUEHDM-FMIVXFBMSA-N

物理化学性质

• 密度: 1.471g/cm³ （计算值）
• 沸点: 902.163°C at 760 mmHg （计算值）
• 闪点: 277.091°C （计算值）