连翘种苷
[CAS# 84213-44-5]

基本信息

• 产品名称: 连翘种苷
• 英文名: Suspensaside
• 别名: [(2R,3S,4R,5R,6R)-6-[2-(3,4-Dihydroxyphenyl)-2-Hydroxy-Ethoxy]-4,5-Dihydroxy-2-[[(2R,3R,4R,5R,6S)-3,4,5-Trihydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxymethyl]Tetrahydropyran-3-Yl] (E)-3-(3,4-Dihydroxyphenyl)Prop-2-Enoate; (E)-3-(3,4-Dihydroxyphenyl)Prop-2-Enoic Acid [(2R,3S,4R,5R,6R)-6-[2-(3,4-Dihydroxyphenyl)-2-Hydroxyethoxy]-4,5-Dihydroxy-2-[[(2R,3R,4R,5R,6S)-3,4,5-Trihydroxy-6-Methyl-2-Tetrahydropyranyl]Oxymethyl]-3-Tetrahydropyranyl] Ester; (E)-3-(3,4-Dihydroxyphenyl)Acrylic Acid [(2R,3S,4R,5R,6R)-6-[2-(3,4-Dihydroxyphenyl)-2-Hydroxy-Ethoxy]-4,5-Dihydroxy-2-[[(2R,3R,4R,5R,6S)-3,4,5-Trihydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxymethyl]Tetrahydropyran-3-Yl] Ester
• 分子式: C₂₉H₃₆O₁₆
• 分子量: 640.59
• CAS 登录号: 84213-44-5
• 分子行输入简码 SMILES: [C@@H]2([C@@H]([C@H]([C@H](OCC(C1=CC(=C(C=C1)O)O)O)O[C@@H]2CO[C@H]3[C@@H]([C@H](O)[C@H]([C@@H](O3)C)O)O)O)O)OC(/C=C/C4=CC=C(O)C(=C4)O)=O
• 国际化学标识码 InChI: 1S/C29H36O16/c1-12-22(36)23(37)25(39)28(43-12)42-11-20-27(45-21(35)7-3-13-2-5-15(30)17(32)8-13)24(38)26(40)29(44-20)41-10-19(34)14-4-6-16(31)18(33)9-14/h2-9,12,19-20,22-34,36-40H,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: IAXBXCJUSPUULA-RHTWPPHESA-N

物理化学性质

• 密度: 1.658g/cm³ （计算值）
• 沸点: 962.151°C at 760 mmHg （计算值）
• 闪点: 311.49°C （计算值）