CAS: 355143-38-3; (1As,1Bs,2S,5Ar,6S,6As)-1A-(Hydroxymethyl)-2-(((2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(((4-Hydroxybenzoyl)Oxy)Methyl)Tetrahydro-2H-Pyran-2-yl)Oxy)-1A,1B,2,5A,6,6A-Hexahydrooxireno[2',3':4,5]Cyclopenta[1,2-C]Pyran-6-Yl 4-Hydroxybenzoate

• 英文名称(1As,1Bs,2S,5Ar,6S,6As)-1A-(Hydroxymethyl)-2-(((2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(((4-Hydroxybenzoyl)Oxy)Methyl)Tetrahydro-2H-Pyran-2-yl)Oxy)-1A,1B,2,5A,6,6A-Hexahydrooxireno[2',3':4,5]Cyclopenta[1,2-C]Pyran-6-Yl 4-Hydroxybenzoate
• 中文名称6'-O-对羟基苯甲酰基梓甙
• IUPAC名称(1aS,1bS,2S,5aR,6S,6aS)-1a-(hydroxymethyl)-2-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(((4-hydroxybenzoyl)oxy)methyl)tetrahydro-2H-pyran-2-yl)oxy)-1a,1b,2,5a,6,6a-hexahydrooxireno[2',3':4,5]cyclopenta[1,2-c]pyran-6-yl 4-hydroxybenzoate
• 其它别名6'-O-P-Hydroxybenzoylcatalposide; -O-P-Hydroxybenzoylcatalposide; β-D-Glucopyranoside, (1As,1Bs,2S,5Ar,6S,6As)-1A,1B,2,5A,6,6A-Hexahydro-6-[(4-Hydroxybenzoyl)Oxy]-1A-(Hydroxymethyl)Oxireno[4,5]Cyclopenta[1,2-C]Pyran-2-Yl, 6-(4-Hydroxybenzoate)
• CAS编号355143-38-3
• MFCD编号:MFCD20260344
• 分子式:C29H30O14分子量:602.54
• 产品CID: 1363048
• 产品分类天然产物 → 环烯醚萜衍生物

• 相似结构搜索
• InChIKey: ZWTYXFQSLOFTCY-SKVSVBPGSA-N
• InChI=1S/C29H30O14/c30-12-29-19-17(23(24(29)43-29)41-26(37)14-3-7-16(32)8-4-14)9-10-38-27(19)42-28-22(35)21(34)20(33)18(40-28)11-39-25(36)13-1-5-15(31)6-2-13/h1-10,17-24,
• 计算化学: 氢键受体数14.0氢键供体数6.0可旋转键数10.0

物理性质

• 沸点860.8±65.0 °C(预测)
• 闪点218.8±12.4 °C
• 密度1.65±0.1 g/cm3(预测)
• pKa:8.03±0.15(预测)
• PSA:214.2
• LogP:-0.4497
• 溶解性Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
• 外观形态粉末

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
• 安全声明H303+H313+H333

合成工艺路线路线简述

海关参考信息

• 2901210000-乙烯
  2901220000-丙烯
  2905122000-异丙醇
  2905143000-叔丁醇
• 💡 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