CAS: 53538-13-9; (2S,3S,4S,5R,6S)-Methyl 3,4,5-Trihydroxy-6-((5-Hydroxy-2-(4-Hydroxyphenyl)-4-Oxo-4H-Chromen-7-yl)Oxy)Tetrahydro-2H-Pyran-2-Carboxylate

• 英文名称(2S,3S,4S,5R,6S)-Methyl 3,4,5-Trihydroxy-6-((5-Hydroxy-2-(4-Hydroxyphenyl)-4-Oxo-4H-Chromen-7-yl)Oxy)Tetrahydro-2H-Pyran-2-Carboxylate
• 中文名称芹菜素-7-O-葡萄糖醛酸甲酯苷
• IUPAC名称methyl (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-((5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl)oxy)tetrahydro-2H-pyran-2-carboxylate
• 其它别名Apigenin 7-O-Methylglucuronide; (2S,3S,4S,5R,6S)-Methyl 3,4,5-Trihydroxy-6-((5-Hydroxy-2-(4-Hydroxyphenyl)-4-Oxo-4H-Chromen-7-yl)Oxy)Tetrahydro-2H-Pyran-2-Carboxylate; β-D-Glucopyranosiduronic Acid, 5-Hydroxy-2-(4-Hydroxyphenyl)-4-Oxo-4H-1-Benzopyran-7-Yl, Methyl Ester; Apigenin-7-O-β-D-Glucuronidemethylester
• CAS编号53538-13-9
• MFCD编号:MFCD20260976
• 分子式:C22H20O11分子量:460.39
• 产品CID: 2533392
• 产品分类天然产物 → 黄酮类化合物

• 相似结构搜索
• 产品信息参考;;;;
• InChIKey: XXKIWCKZQFBXIR-SXFAUFNYSA-N
• InChI=1S/C22H20O11/c1-30-21(29)20-18(27)17(26)19(28)22(33-20)31-11-6-12(24)16-13(25)8-14(32-15(16)7-11)9-2-4-10(23)5-3-9/h2-8,17-20,22-24,26-28H,1H3/t17-,18-,19+,20-,22+/
• 计算化学: 氢键受体数11.0氢键供体数5.0可旋转键数5.0

物理性质

• 沸点842.4±65.0 °C at 760 mmHg
• 闪点295.2±27.8 °C
• 密度1.6±0.1 g/cm3
• 溶解性Soluble In Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,Etc.
• 外观形态黄色粉末

MSDS等安全信息

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海关参考信息

• 2905122000-异丙醇
  2905310000-1,2-乙二醇
  2905320000-1,2-丙二醇
  2905399001-1,3-丙二醇
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