[(1R,6S,7S,8R,9R)-4-(3,4-二羟基苯基)-9-(羟基甲基)-7-[(2S,3R,4R,5S,6S)-3,4,5-三羟基-6-甲基-四氢吡喃-2-基]氧基-2,5,10-三氧杂双环[4.4.0]癸-8-基] (E)-3-(3,4-二羟基苯基)丙-2-烯酸酯
[CAS# 61276-16-2]

基本信息

• 产品名称: [(1R,6S,7S,8R,9R)-4-(3,4-二羟基苯基)-9-(羟基甲基)-7-[(2S,3R,4R,5S,6S)-3,4,5-三羟基-6-甲基-四氢吡喃-2-基]氧基-2,5,10-三氧杂双环[4.4.0]癸-8-基] (E)-3-(3,4-二羟基苯基)丙-2-烯酸酯
• 英文名: [(1R,6S,7S,8R,9R)-4-(3,4-Dihydroxyphenyl)-9-(Hydroxymethyl)-7-[(2S,3R,4R,5S,6S)-3,4,5-Trihydroxy-6-Methyl-Oxan-2-Yl]Oxy-2,5,10-Trioxabicyclo[4.4.0]Dec-8-Yl] (E)-3-(3,4-Dihydroxyphenyl)Prop-2-Enoate
• 别名: [(2R,3S,4S,5R,6R)-6-[(2S)-2-(3,4-Dihydroxyphenyl)-2-Hydroxy-Ethoxy]-4-Hydroxy-2-(Hydroxymethyl)-5-[(2S,3R,4R,5R,6S)-3,4,5-Trihydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-Tetrahydropyran-3-Yl] (E)-3-(3,4-Dihydroxyphenyl)Prop-2-Enoate; (E)-3-(3,4-Dihydroxyphenyl)Prop-2-Enoic Acid [(2R,3S,4S,5R,6R)-6-[(2S)-2-(3,4-Dihydroxyphenyl)-2-Hydroxyethoxy]-4-Hydroxy-2-(Hydroxymethyl)-5-[[(2S,3R,4R,5R,6S)-3,4,5-Trihydroxy-6-Methyl-2-Tetrahydropyranyl]Oxy]-3-Tetrahydropyranyl] Ester; (E)-3-(3,4-Dihydroxyphenyl)Acrylic Acid [(2R,3S,4S,5R,6R)-6-[(2S)-2-(3,4-Dihydroxyphenyl)-2-Hydroxy-Ethoxy]-4-Hydroxy-2-Methylol-5-[(2S,3R,4R,5R,6S)-3,4,5-Trihydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-Tetrahydropyran-3-Yl] Ester
• 分子式: C₂₉H₃₆O₁₆
• 分子量: 640.59
• CAS 登录号: 61276-16-2
• 分子行输入简码 SMILES: [C@@H]3(O[C@@H]1O[C@H]([C@H](O)[C@@H](O)[C@H]1O)C)[C@@H](O)[C@H](OC(=O)\C=C\C2=CC(=C(O)C=C2)O)[C@H](O[C@H]3OC[C@@H](O)C4=CC(=C(O)C=C4)O)CO
• 国际化学标识码 InChI: 1S/C29H36O16/c1-12-22(37)23(38)24(39)28(42-12)45-27-25(40)26(44-21(36)7-3-13-2-5-15(31)17(33)8-13)20(10-30)43-29(27)41-11-19(35)14-4-6-16(32)18(34)9-14/h2-9,12,19-20,22-35,37-40H,10-11H2,1H3/b7-3+/t12-,19+,20+,22-,23+,24+,25-,26+,27+,28-,29+/m0/s1
• 国际化学标识检索码 InChIKey: PZTVNHKDWVHORF-FMEUUFJCSA-N

物理化学性质

• 密度: 1.658g/cm³ （计算值）
• 沸点: 965.603°C at 760 mmHg （计算值）
• 闪点: 312.63°C （计算值）