CAS: 1246012-26-9; Methyl (1S,4As,5R,7S,7As)-7-Hydroxy-5-(((E)-3-(4-Hydroxyphenyl)Acryloyl)Oxy)-7-Methyl-1-(((2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydro-2H-Pyran-2-yl)Oxy)-1,4A,5,6,7,7A-Hexahydrocyclopenta[c]Pyran-4-Carboxylate

• 英文名称Methyl (1S,4As,5R,7S,7As)-7-Hydroxy-5-(((E)-3-(4-Hydroxyphenyl)Acryloyl)Oxy)-7-Methyl-1-(((2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydro-2H-Pyran-2-yl)Oxy)-1,4A,5,6,7,7A-Hexahydrocyclopenta[c]Pyran-4-Carboxylate
• 中文名称6-O-反式对香豆酰山栀苷甲酯
• IUPAC名称methyl (1S,4aS,5R,7S,7aS)-7-hydroxy-5-(((E)-3-(4-hydroxyphenyl)acryloyl)oxy)-7-methyl-1-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate
• 其它别名6-O-Trans-P-Coumaroylshanzhiside Methyl Ester; 6-O-Trans-P-Coumaroylshanzhiside; Cyclopenta[c]Pyran-4-Carboxylic Acid, 1-(β-D-Glucopyranosyloxy)-1,4A,5,6,7,7A-Hexahydro-7-Hydroxy-5-[[(2E)-3-(4-Hydroxyphenyl)-1-Oxo-2-Propen-1-Yl]Oxy]-7-Methyl-, Methyl Ester, (1S,4As,5R,7S,7As)-
• CAS编号1246012-26-9
• MFCD编号:MFCD20260730
• 分子式:C26H32O13分子量:552.53
• 产品CID: 356158
• 产品分类天然产物 → 环烯醚萜衍生物

• 相似结构搜索
• InChIKey: ZGUUHRZMAAUFHL-OKHNFGPGSA-N
• InChI=1S/C26H32O13/c1-26(34)9-15(37-17(29)8-5-12-3-6-13(28)7-4-12)18-14(23(33)35-2)11-36-24(19(18)26)39-25-22(32)21(31)20(30)16(10-27)38-25/h3-8,11,15-16,18-22,24-25,27-2
• 计算化学: 氢键受体数13.0氢键供体数6.0可旋转键数9.0

物理性质

• 沸点771.3±60.0 °C at 760 mmHg
• 闪点255.8±26.4 °C
• 密度1.5±0.1 g/cm3
• pKa:9.67±0.26(预测)
• PSA:201.67
• LogP:-1.03
• 折射率1.648
• 蒸汽压0.0±2.8 mmHg at 25°C
• 外观形态粉末
• 储存条件2-8°C，干燥环境，密闭

MSDS等安全信息

• 危险描述H303May be harmful if swallowed+H313Skin contact may be harmful+H333Inhalation may be harmful to the body
• 防范说明P264+P280+P305+P351+P338+P337+P313
• 危险品标志Xi
• 安全声明H303+H313+H333

合成工艺路线路线简述

海关参考信息

• 2901210000-乙烯
  2901220000-丙烯
  2902300000-甲苯
  2902500000-苯乙烯
• 💡 提示：海关信息按照顺序优先匹配，如需确认的海关信息，请参考相关资料。
• 详情请参考：📖 海关编码查询和海关进出口税则

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