CAS: 117047-07-1; 7-Hydroxy-3-(4-Hydroxy-3-Methoxyphenyl)-8-((2S,3R,4R,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydro-2H-Pyran-2-yl)-4H-Chromen-4-One

• 英文名称7-Hydroxy-3-(4-Hydroxy-3-Methoxyphenyl)-8-((2S,3R,4R,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydro-2H-Pyran-2-yl)-4H-Chromen-4-One
• 中文名称3'-甲氧基葛根素
• IUPAC名称7-hydroxy-3-(4-hydroxy-3-methoxyphenyl)-8-((2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)-4H-chromen-4-one
• 其它别名8-Beta-D-Glucopyranosyl-7-Hydroxy-3-(4-Hydroxy-3-Methoxyphenyl)-4H-1-Benzopyran-4-One; Puerariaglycoside 3; Methoxypuerarin, 3'-; 4H-1-Benzopyran-4-One,8-B-D-Glucopyranosyl-7-Hydroxy-3-(4-Hydroxy-3-Methoxyphenyl)-; 4H-1-Benzopyran-4-One, 8-β-D-Glucopyranosyl-7-Hydroxy-3-(4-Hydroxy-3-Methoxyphenyl)-; 3'-Methoxypuerarin,Inhibitor,3'Methoxypuerarin,Inhibit,3' Methoxypuerarin; 3'-Methoxypuerarin; 3''-Methoxypuerarin
• CAS编号117047-07-1
• MFCD编号:MFCD21363095
• 分子式:C22H22O10分子量:446.41
• 产品CID: 215518
• 产品分类生物化工 → 植物提取物

• 相似结构搜索
• 产品信息参考;;
• InChIKey: HQQUZVFMUSCUJS-PGPONNFDSA-N
• InChI=1S/C22H22O10/c1-30-14-6-9(2-4-12(14)24)11-8-31-21-10(17(11)26)3-5-13(25)16(21)22-20(29)19(28)18(27)15(7-23)32-22/h2-6,8,15,18-20,22-25,27-29H,7H2,1H3/t15-,18-,19+,2
• 计算化学: 氢键受体数10.0氢键供体数6.0可旋转键数4.0

物理性质

• 熔点212-213 °C
• 沸点706.0±60.0 °C at 760 mmHg
• 闪点247.5±26.4 °C
• 密度1.6±0.1 g/cm3
• pKa:6.30±0.20(预测)
• PSA:170.05
• LogP:1.72
• 折射率1.696
• 蒸汽压0.0±2.4 mmHg at 25°C
• 溶解性Soluble In Methanol;
• 外观形态白色粉末
• 储存条件2-8°C

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-P337+P313-P501-
• 安全声明H303 may be harmful by ingestion +h313 may be harmful by skin contact +h2413 may be harmful by inhalation

合成工艺路线路线简述

海关参考信息

• 2902600000-乙苯
  2905122000-异丙醇
  2905310000-1,2-乙二醇
  2905320000-1,2-丙二醇
• 💡 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