CAS: 122965-41-7; Galloylpaeoniflorin

• 英文名称Galloylpaeoniflorin
• 中文名称没食子酰芍药苷
• IUPAC名称((2R,3S,4S,5R,6S)-6-(((1aR,1a1S,2S,3aR,5R,5aR)-1a1-((benzoyloxy)methyl)-5-hydroxy-2-methyltetrahydro-1H-3,4-dioxa-2,5-methanocyclobuta[cd]pentalen-1a(2H)-yl)oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)methyl 3,4,5-trihydroxybenzoate
• 其它别名Galloylpaeoniflorin; [[(1Ar)-5Bβ-[(Benzoyloxy)Methyl]-3Aβ,5,5Aβ,5B-Tetrahydro-5β-Hydroxy-2-Methyl-2α,5α-Methano-3,4-Dioxa-1H-Cyclobuta[cd]Pentalen]-1Aβ(2H)-Yl]6-O-Galloyl-β-D-Glucopyranoside; 6'-O-Galloyl Paeoniflorin; β-D-Glucopyranoside, (1Ar,2S,3Ar,5R,5Ar,5Bs)-5B-[(Benzoyloxy)Methyl]Tetrahydro-5-Hydroxy-2-Methyl-2,5-Methano-1H-3,4-Dioxacyclobuta[cd]Pentalen-1A(2H)-Yl, 6-(3,4,5-Trihydroxybenzoate); Nuclear Factor-Kappab,Inhibit,Inhibitor,Galloylpaeoniflorin,Nf-κb,Nuclear Factor-κb; Galloylpaeoniflorin, 10 Mm In Dmso
• CAS编号122965-41-7
• MFCD编号:MFCD28385965
• 分子式:C30H32O15分子量:632.57
• 产品CID: 332946
• 产品分类天然产物 → 萜类

• 相似结构搜索
• 产品信息参考;;;;
• InChIKey: KLFIUQCKSSAFFU-QHOIGUMUSA-N
• InChI=1S/C30H32O15/c1-27-11-29(39)18-9-30(27,28(18,26(44-27)45-29)12-41-23(37)13-5-3-2-4-6-13)43-25-22(36)21(35)20(34)17(42-25)10-40-24(38)14-7-15(31)19(33)16(32)8-14/h2-
• 计算化学: 氢键受体数15.0氢键供体数7.0可旋转键数10.0

物理性质

• 沸点887.7±65.0 °C at 760 mmHg
• 闪点290.8±27.8 °C
• 密度1.7±0.1 g/cm3
• pKa:7.84±0.25(预测)
• PSA:231.13
• LogP:4.89
• 折射率1.735
• 蒸汽压0.0±0.3 mmHg at 25°C
• 溶解性Soluble In Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,Etc.
• 外观形态白色至类白色粉末
• 储存条件4°C, 防潮和避光
• 产品应用该化合物用于内容确定/识别/药物实验等.

MSDS等安全信息

• 警示词Warning
• 危险描述H302-H315-H319-H335-
• 防范说明P261-P305+P351+P338-
• 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

• 2905122000-异丙醇
  2905143000-叔丁醇
  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