冈田酸甲酯
[CAS# 78111-14-5]

基本信息

• 产品名称: 冈田酸甲酯
• 英文名: Methyl Okadaate
• 别名: Methyl (2R)-3-[(2S,6R,8S,11R)-2-[(E,1R)-3-[(2S,2'R,4R,4As,6R,8Ar)-4-Hydroxy-2-[(1S,3S)-1-Hydroxy-3-[(2S,3R,6S)-3-Methyl-1,7-Dioxaspiro[5.5]Undecan-2-Yl]Butyl]-3-Methylene-Spiro[4A,7,8,8A-Tetrahydro-4H-Pyrano[2,3-E]Pyran-6,5'-Tetrahydrofuran]-2'-Yl]-1-Methyl-Prop-2-Enyl]-11-Hydroxy-4-Methyl-1,7-Dioxaspiro[5.5]Undec-4-En-8-Yl]-2-Hydroxy-2-Methyl-Propanoate; (2R)-3-[(2S,6R,8S,11R)-2-[(E,1R)-3-[(2S,2'R,4R,4As,6R,8Ar)-4-Hydroxy-2-[(1S,3S)-1-Hydroxy-3-[(2S,3R,6S)-3-Methyl-1,7-Dioxaspiro[5.5]Undecan-2-Yl]Butyl]-3-Methylene-2'-Spiro[4A,7,8,8A-Tetrahydro-4H-Pyrano[2,3-E]Pyran-6,5'-Tetrahydrofuran]Yl]-1-Methylprop-2-Enyl]-11-Hydroxy-4-Methyl-1,7-Dioxaspiro[5.5]Undec-4-En-8-Yl]-2-Hydroxy-2-Methylpropanoic Acid Methyl Ester; (2R)-3-[(2S,6R,8S,11R)-2-[(E,1R)-3-[(2S,2'R,4R,4As,6R,8Ar)-4-Hydroxy-2-[(1S,3S)-1-Hydroxy-3-[(2S,3R,6S)-3-Methyl-1,7-Dioxaspiro[5.5]Undecan-2-Yl]Butyl]-3-Methylene-Spiro[4A,7,8,8A-Tetrahydro-4H-Pyrano[2,3-E]Pyran-6,5'-Tetrahydrofuran]-2'-Yl]-1-Methyl-Prop-2-Enyl]-11-Hydroxy-4-Methyl-1,7-Dioxaspiro[5.5]Undec-4-En-8-Yl]-2-Hydroxy-2-Methyl-Propionic Acid Methyl Ester
• 分子式: C₄₅H₇₀O₁₃
• 分子量: 819.04
• CAS 登录号: 78111-14-5
• 分子行输入简码 SMILES: [C@@H]3(\C=C\[C@@H](C)[C@H]2O[C@]1(O[C@H](C[C@@](C(OC)=O)(C)O)CC[C@H]1O)C=C(C2)C)O[C@]4(CC3)O[C@@H]5[C@@H](CC4)O[C@@H](C([C@H]5O)=C)[C@H](C[C@H](C)[C@H]6O[C@]7(CC[C@H]6C)CCCCO7)O
• 国际化学标识码 InChI: 1S/C45H70O13/c1-26-22-35(56-45(24-26)36(47)13-12-32(55-45)25-42(6,50)41(49)51-7)27(2)10-11-31-15-19-44(54-31)20-16-34-40(58-44)37(48)30(5)39(53-34)33(46)23-29(4)38-28(3)14-18-43(57-38)17-8-9-21-52-43/h10-11,24,27-29,31-40,46-48,50H,5,8-9,12-23,25H2,1-4,6-7H3/b11-10+/t27-,28-,29+,31+,32+,33+,34-,35+,36-,37-,38+,39+,40-,42-,43+,44-,45-/m1/s1
• 国际化学标识检索码 InChIKey: BVEXVMARIREFTJ-TXMWGMRISA-N

物理化学性质

• 密度: 1.255g/cm³ （计算值）
• 沸点: 898.74°C at 760 mmHg （计算值）
• 闪点: 259.579°C （计算值）