3-(3,4-二羟基苯甲酰基)-4-羟基-8,8-二甲基-1,7-二(3-甲基-2-丁烯-1-基)-5-[(2S)-5-甲基-2-(1-甲基乙烯基)-4-己烯-1-基]-(1R,5R,7R)-双环[3.3.1]壬-3-烯-2,9-二酮
[CAS# 78824-30-3]

基本信息

• 产品名称: 3-(3,4-二羟基苯甲酰基)-4-羟基-8,8-二甲基-1,7-二(3-甲基-2-丁烯-1-基)-5-[(2S)-5-甲基-2-(1-甲基乙烯基)-4-己烯-1-基]-(1R,5R,7R)-双环[3.3.1]壬-3-烯-2,9-二酮
• 英文名: 3-(3,4-Dihydroxybenzoyl)-4-Hydroxy-8,8-Dimethyl-1,7-Bis(3-Methyl-2-Buten-1-Yl)-5-[(2S)-5-Methyl-2-(1-Methylethenyl)-4-Hexen-1-Yl]-(1R,5R,7R)-Bicyclo[3.3.1]Non-3-Ene-2,9-Dione
• 别名: (1R,3Z,5S,7R)-3-[(3,4-Dihydroxyphenyl)-Hydroxy-Methylene]-5-[(2S)-2-Isopropenyl-5-Methyl-Hex-4-Enyl]-8,8-Dimethyl-1,7-Bis(3-Methylbut-2-Enyl)Bicyclo[3.3.1]Nonane-2,4,9-Trione; (1R,3Z,5S,7R)-3-[(3,4-Dihydroxyphenyl)-Hydroxymethylene]-5-[(2S)-2-Isopropenyl-5-Methylhex-4-Enyl]-8,8-Dimethyl-1,7-Bis(3-Methylbut-2-Enyl)Bicyclo[3.3.1]Nonane-2,4,9-Trione; (1R,3Z,5S,7R)-3-[(3,4-Dihydroxyphenyl)-Hydroxy-Methylidene]-8,8-Dimethyl-1,7-Bis(3-Methylbut-2-Enyl)-5-[(2S)-5-Methyl-2-Prop-1-En-2-Yl-Hex-4-Enyl]Bicyclo[3.3.1]Nonane-2,4,9-Trione
• 分子式: C₃₈H₅₀O₆
• 分子量: 602.81
• CAS 登录号: 78824-30-3
• 分子行输入简码 SMILES: [C@]12(C([C@@H](C[C@](C1=O)(C[C@H](CC=C(C)C)C(C)=C)C(=O)C(/C2=O)=C(O)\C3=CC(=C(O)C=C3)O)CC=C(C)C)(C)C)CC=C(C)C
• 国际化学标识码 InChI: 1S/C38H50O6/c1-22(2)11-13-27(25(7)8)20-37-21-28(15-12-23(3)4)36(9,10)38(35(37)44,18-17-24(5)6)34(43)31(33(37)42)32(41)26-14-16-29(39)30(40)19-26/h11-12,14,16-17,19,27-28,39-41H,7,13,15,18,20-21H2,1-6,8-10H3/b32-31-/t27-,28+,37+,38-/m0/s1
• 国际化学标识检索码 InChIKey: DTTONLKLWRTCAB-BZSUNBQASA-N

物理化学性质

• 密度: 1.11g/cm³ （计算值）
• 沸点: 711.307°C at 760 mmHg （计算值）
• 闪点: 397.938°C （计算值）