CAS: 172760-03-1; ((2R,3S,4S,5R,6S)-6-(((1Ar,1A1S,2R,5S,5Ar)-1A1-((Benzoyloxy)Methyl)-2-Hydroxy-5-Methyltetrahydro-1H-3,4-Dioxa-2,5-Methanocyclobuta[cd]Pentalen-5A(5H)-yl)Oxy)-3,4,5-Trihydroxytetrahydro-2H-Pyran-2-yl)Methyl 4-Hydroxybenzoate

• 英文名称((2R,3S,4S,5R,6S)-6-(((1Ar,1A1S,2R,5S,5Ar)-1A1-((Benzoyloxy)Methyl)-2-Hydroxy-5-Methyltetrahydro-1H-3,4-Dioxa-2,5-Methanocyclobuta[cd]Pentalen-5A(5H)-yl)Oxy)-3,4,5-Trihydroxytetrahydro-2H-Pyran-2-yl)Methyl 4-Hydroxybenzoate
• 中文名称牡丹皮苷C
• IUPAC名称((2R,3S,4S,5R,6S)-6-(((1aR,1a1S,2R,5S,5aR)-1a1-((benzoyloxy)methyl)-2-hydroxy-5-methyltetrahydro-1H-3,4-dioxa-2,5-methanocyclobuta[cd]pentalen-5a(5H)-yl)oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)methyl 4-hydroxybenzoate
• 其它别名Mudanpiosidec; 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-(4-Hydroxybenzoate); ((2R,3S,4S,5R,6S)-6-(((1Ar,1A1S,2R,3Ar,5S,5Ar)-1A1-((Benzoyloxy)Methyl)-2-Hydroxy-5-Methyltetrahydro-1H-3,4-Dioxa-2,5-Methanocyclobuta[cd]Pentalen-5A(5H)-Yl)Oxy)-3,4,5-Trihydroxytetrahydro-2H-Pyran-2-Yl)Methyl 4-Hydroxybenzoate; Mudanpioside C, 10 Mm In Dmso; Mudanpioside
• CAS编号172760-03-1
• MFCD编号:MFCD28385988
• FDA UNII编号:PYV3TSP544
• 分子式:C30H32O13分子量:600.57
• 产品CID: 884036
• 产品分类天然产物 → 萜类

• 相似结构搜索
• 产品信息参考;;;;
• InChIKey: HMSMTLNPCAHHGP-IPRVBXPUSA-N
• InChI=1S/C30H32O13/c1-27-13-29(37)19-11-30(27,28(19,26(42-27)43-29)14-39-24(36)15-5-3-2-4-6-15)41-25-22(34)21(33)20(32)18(40-25)12-38-23(35)16-7-9-17(31)10-8-16/h2-10,18-
• 计算化学: 氢键受体数13.0氢键供体数5.0可旋转键数10.0

物理性质

• 沸点789.1±60.0 °C at 760 mmHg
• 闪点258.6±26.4 °C
• 密度1.6±0.1 g/cm3
• pKa:8.13±0.15(预测)
• PSA:190.67
• LogP:5.22
• 折射率1.699
• 蒸汽压0.0±2.9 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2-8°C
• 产品应用该化合物用于内容确定/鉴定/药物实验等.

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

• 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