CAS: 119262-68-9; (2S,3S,4S,5R,6S)-Methyl 6-((5,6-Dihydroxy-2-(4-Hydroxyphenyl)-4-Oxo-4H-Chromen-7-yl)Oxy)-3,4,5-Trihydroxytetrahydro-2H-Pyran-2-Carboxylate

英文名称(2S,3S,4S,5R,6S)-Methyl 6-((5,6-Dihydroxy-2-(4-Hydroxyphenyl)-4-Oxo-4H-Chromen-7-yl)Oxy)-3,4,5-Trihydroxytetrahydro-2H-Pyran-2-Carboxylate
中文名称灯盏花乙素甲酯
IUPAC名称methyl (2S,3S,4S,5R,6S)-6-((5,6-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl)oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylate
其它别名5,6-Dihydroxy-2-(4-Hydroxyphenyl)-4-Oxo-4H-1-Benzopyran-7-Yl Beta-D-Glucopyranosiduronic Acid Methyl Ester; Breviscapine Methyl Ester; Scutellarin Methlester; Scutellarin Methylester; β-D-Glucopyranosiduronic Acid, 5,6-Dihydroxy-2-(4-Hydroxyphenyl)-4-Oxo-4H-1-Benzopyran-7-Yl, Methyl Ester; (2S,3S,4S,5R,6S)-Methyl 6-((5,6-Dihydroxy-2-(4-Hydroxyphenyl)-4-Oxo-4H-Chromen-7-yl)Oxy)-3,4,5-Trihydroxytetrahydro-2H-Pyran-2-Carboxylate; Scutellarin Methyl Ester, 10 Mm In Dmso
CAS编号119262-68-9
MFCD编号:MFCD29049472
分子式:C22H20O12分子量:476.39
产品CID: 255658
产品分类生物化工 → 提取物

相似结构搜索
InChIKey: LNIVUWPCHRNJLG-SXFAUFNYSA-N
InChI=1S/C22H20O12/c1-31-21(30)20-18(28)17(27)19(29)22(34-20)33-13-7-12-14(16(26)15(13)25)10(24)6-11(32-12)8-2-4-9(23)5-3-8/h2-7,17-20,22-23,25-29H,1H3/t17-,18-,19+,20-,2
计算化学: 氢键受体数12.0氢键供体数6.0可旋转键数5.0

物理性质

沸点804.0±65.0 °C at 760 mmHg
闪点281.5±27.8 °C
密度1.7±0.1 g/cm3
pKa:5.92±0.40(预测)
PSA:196.35
LogP:0.12
折射率1.715
蒸汽压0.0±3.0 mmHg at 25°C
溶解性Soluble In Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,Etc.
外观形态黄色粉末

上下游产品

methanol scutellarin 4,5,6,7-tetra-O-acetylflavone 5,6,4'-triacetoxy-7-hydroxyflavon-7-O-(2,3,4-tri-O-acetyl-β-D-glucopyranosiduronsauremethyl ester) 35H41NO17C35H41NO17 30H33NO15C30H33NO15 32H37NO15C32H37NO15

合成工艺路线路线简述

📜野黄芩素置于吡啶,硫酸,Potassium Carbonate,Potassium Iodide体系中,用甲醇,N,N-二甲基甲酰胺用作溶剂,化学反应 0.98H,反应生成灯盏花乙素甲酯
参考文献:Method For Preparing 5,6,4'-Trihydroxyflavone-7-0-D-Glucuronic Acid
标题:Method For Preparing 5,6,4'-Trihydroxyflavone-7-0-D-Glucuronic Acid