番泻苷 A
[CAS# 8013-11-4]

基本信息

• 产品名称: 番泻苷 A
• 英文名: Sennoside A
• 别名: (9R)-9-[(9R)-2-Carboxy-4-Hydroxy-10-Oxo-5-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy-9H-Anthracen-9-Yl]-4-Hydroxy-10-Oxo-5-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy-9H-Anthracene-2-Carboxylic Acid; (9R)-9-[(9R)-2-Carboxy-4-Hydroxy-10-Oxo-5-[[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxy]-9H-Anthracen-9-Yl]-4-Hydroxy-10-Oxo-5-[[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxy]-9H-Anthracene-2-Carboxylic Acid; (9R)-9-[(9R)-2-Carboxy-4-Hydroxy-10-Keto-5-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Oxy-9H-Anthracen-9-Yl]-4-Hydroxy-10-Keto-5-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Oxy-9H-Anthracene-2-Carboxylic Acid
• 分子式: C₄₂H₃₈O₂₀
• 分子量: 862.75
• CAS 登录号: 8013-11-4
• 分子行输入简码 SMILES: [C@@H]1(C4=C(C(C2=C1C=CC=C2O[C@H]3[C@@H]([C@H]([C@H](O)[C@H](O3)CO)O)O)=O)C(=CC(=C4)C(=O)O)O)[C@H]6C5=C(C(=CC(=C5)C(=O)O)O)C(C7=C6C=CC=C7O[C@H]8[C@@H]([C@H]([C@H](O)[C@H](O8)CO)O)O)=O
• 国际化学标识码 InChI: 1S/C42H38O20/c43-11-23-31(47)35(51)37(53)41(61-23)59-21-5-1-3-15-25(17-7-13(39(55)56)9-19(45)27(17)33(49)29(15)21)26-16-4-2-6-22(60-42-38(54)36(52)32(48)24(12-44)62-42)30(16)34(50)28-18(26)8-14(40(57)58)10-20(28)46/h1-10,23-26,31-32,35-38,41-48,51-54H,11-12H2,(H,55,56)(H,57,58)/t23-,24-,25-,26-,31-,32-,35+,36+,37-,38-,41-,42-/m1/s1
• 国际化学标识检索码 InChIKey: IPQVTOJGNYVQEO-KGFNBKMBSA-N

物理化学性质

• 密度: 1.743g/cm³ （计算值）
• 沸点: 1144.783°C at 760 mmHg （计算值）
• 闪点: 348.631°C （计算值）