CAS: 113557-95-2; (E)-(2R,3R,4R,5R,6R)-2-(3,4-Dihydroxyphenethoxy)-5-Hydroxy-6-(Hydroxymethyl)-3-(((2S,3R,4R,5R,6S)-3,4,5-Trihydroxy-6-Methyltetrahydro-2H-Pyran-2-yl)Oxy)Tetrahydro-2H-Pyran-4-Yl 3-(3,4-Dihydroxyphenyl)Acrylate

• 英文名称(E)-(2R,3R,4R,5R,6R)-2-(3,4-Dihydroxyphenethoxy)-5-Hydroxy-6-(Hydroxymethyl)-3-(((2S,3R,4R,5R,6S)-3,4,5-Trihydroxy-6-Methyltetrahydro-2H-Pyran-2-yl)Oxy)Tetrahydro-2H-Pyran-4-Yl 3-(3,4-Dihydroxyphenyl)Acrylate
• 中文名称厚朴苷A
• IUPAC名称(2R,3R,4R,5R,6R)-2-(3,4-dihydroxyphenethoxy)-5-hydroxy-6-(hydroxymethyl)-3-(((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-4-yl (E)-3-(3,4-dihydroxyphenyl)acrylate
• 其它别名Magloside A; Magnoloside A; B-D-Allopyranoside,2-(3,4-Dihydroxyphenyl)Ethyl 2-O-(6-Deoxy-A-L-Mannopyranosyl)-,3-[(2E)-3-(3,4-Dihydroxyphenyl)-2-Propenoate] (9Ci); β-D-Allopyranoside, 2-(3,4-Dihydroxyphenyl)Ethyl 2-O-(6-Deoxy-α-L-Mannopyranosyl)-, 3-[(2E)-3-(3,4-Dihydroxyphenyl)-2-Propenoate]; (E)-(2R,3R,4R,5R,6R)-2-(3,4-Dihydroxyphenethoxy)-5-Hydroxy-6-(Hydroxymethyl)-3-(((2S,3R,4R,5R,6S)-3,4,5-Trihydroxy-6-Methyltetrahydro-2H-Pyran-2-yl)Oxy)Tetrahydro-2H-Pyran-4-Yl 3-(3,4-Dihydroxyphenyl)Acrylate; Amagnoloside A
• CAS编号113557-95-2
• MFCD编号:MFCD20260486
• 分子式:C29H36O15分子量:624.59
• 产品CID: 167044
• 产品分类天然产物 → 酚类

• 相似结构搜索
• 产品信息参考;;
• InChIKey: QLZWUGOYBODRLF-UHFFFAOYNA-N
• InChI=1S/C29H36O15/c1-13-22(36)24(38)25(39)28(41-13)44-27-26(43-21(35)7-4-14-2-5-16(31)18(33)10-14)23(37)20(12-30)42-29(27)40-9-8-15-3-6-17(32)19(34)11-15/h2-7,10-11,13,2
• 计算化学: 氢键受体数15.0氢键供体数9.0可旋转键数11.0

物理性质

• 沸点908.8±65.0 °C(预测)
• 闪点294.7±27.8 °C
• 密度1.60±0.1 g/cm3(预测)
• pKa:8.42±0.20(预测)
• PSA:245.29
• LogP:-1.0159
• 产品应用该化合物用作功能性呼吸系统炎(FD)的研究.

MSDS等安全信息

• 警示词Warning
• 危险描述H302-H315-H319-
• 防范说明P264-P270-P280-P301+P312+P330-P302+P352-P305+P351+P338-P332+P313-P362+P364-P501-
• 安全声明H303+H313+H333

合成工艺路线路线简述

其他信息查阅

• ➥ 象形图和危险代码
• ➥ 防范代码详解
• ➥ 危险代码说明
• ➥ Globally Harmonized System
• ➥ REACH监管