CAS: 72896-40-3; ((1Ar,1A1S,2R,3Ar,5S,5Ar)-5A-(((2S,3R,4S,5S,6R)-6-((Benzoyloxy)Methyl)-3,4,5-Trihydroxytetrahydro-2H-Pyran-2-yl)Oxy)-2-Hydroxy-5-Methyltetrahydro-1H-3,4-Dioxa-2,5-Methanocyclobuta[cd]Pentalen-1A1(3Ah)-yl)Methyl 4-Hydroxybenzoate

• 英文名称((1Ar,1A1S,2R,3Ar,5S,5Ar)-5A-(((2S,3R,4S,5S,6R)-6-((Benzoyloxy)Methyl)-3,4,5-Trihydroxytetrahydro-2H-Pyran-2-yl)Oxy)-2-Hydroxy-5-Methyltetrahydro-1H-3,4-Dioxa-2,5-Methanocyclobuta[cd]Pentalen-1A1(3Ah)-yl)Methyl 4-Hydroxybenzoate
• 中文名称苯甲酰氧化芍药苷
• IUPAC名称((1aR,1a1S,2R,3aR,5S,5aR)-5a-(((2S,3R,4S,5S,6R)-6-((benzoyloxy)methyl)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)-2-hydroxy-5-methyltetrahydro-1H-3,4-dioxa-2,5-methanocyclobuta[cd]pentalen-1a1(3aH)-yl)methyl 4-hydroxybenzoate
• 其它别名Benzoyloxypaeoniflorin; [[(1Ar)-5Bβ-[(4-Benzoyloxybenzoyloxy)Methyl]-3Aβ,5,5Aβ,5B-Tetrahydro-5β-Hydroxy-2-Methyl-2α,5α-Methano-3,4-Dioxa-1H-Cyclobuta[cd]Pentalen]-1Aβ(2H)-Yl]β-D-Glucopyranoside; Benzoyloxypaeoniflori, Oxybenzoyl-Paeoniflorin; Benzoyloxypeoniflorin; Benzoyloxypaeoniflorin, 10 Mm In Dmso
• CAS编号72896-40-3
• MFCD编号:MFCD28369242
• 分子式:C30H32O13分子量:600.57
• 产品CID: 1714952
• 产品分类生物化工 → 提取物

• 相似结构搜索
• InChIKey: VIWQCBZFJFSCLC-HRCYFWENSA-N
• InChI=1S/C30H32O13/c1-27-13-29(37)19-11-30(27,28(19,26(42-27)43-29)14-39-24(36)16-7-9-17(31)10-8-16)41-25-22(34)21(33)20(32)18(40-25)12-38-23(35)15-5-3-2-4-6-15/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±0.0 °C at 760 mmHg
• 闪点258.6±0.0 °C
• 密度1.6±0.0 g/cm3
• PSA:190.67
• LogP:5.22
• 折射率1.699
• 蒸汽压0.0±0.0 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
• 储存条件储存在 -20°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H303 May be harmful if swallowed+H313 Skin contact may be harmful+H333 Inhalation 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