CAS: 136807-41-5; 1A-(Hydroxymethyl)-2-((3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydro-2H-Pyran-2-yl)Oxy)-1A,1B,2,5A,6,6A-Hexahydrooxireno[2',3':4,5]Cyclopenta[1,2-C]Pyran-6-Yl Cinnamate

• 英文名称1A-(Hydroxymethyl)-2-((3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydro-2H-Pyran-2-yl)Oxy)-1A,1B,2,5A,6,6A-Hexahydrooxireno[2',3':4,5]Cyclopenta[1,2-C]Pyran-6-Yl Cinnamate
• 中文名称6-O-肉桂酰梓醇
• IUPAC名称1a-(hydroxymethyl)-2-((3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-1a,1b,2,5a,6,6a-hexahydrooxireno[2',3':4,5]cyclopenta[1,2-c]pyran-6-yl cinnamate
• 其它别名6-O-Cinnamoyl Catalpol; β-D-Glucopyranoside, 1A,1B,2,5A,6,6A-Hexahydro-1A-(Hydroxymethyl)-6-[(1-Oxo-3-Phenyl-2-Propenyl)Oxy]Oxireno[4,5]Cyclopenta[1,2-C]Pyran-2-Yl, [1As-[1Aα,1Bβ,2β,5Aβ,6β(E),6Aα]]- (9Ci)
• CAS编号136807-41-5
• MFCD编号:MFCD00017720
• 分子式:C24H28O11分子量:492.48
• 产品CID: 572080
• 产品分类天然产物 → 环烯醚萜衍生物

• 相似结构搜索
• InChIKey: BSYHSWKTXMTFNF-VOTSOKGWSA-N
• InChI=1S/C24H28O11/c25-10-14-17(28)18(29)19(30)23(32-14)34-22-16-13(8-9-31-22)20(21-24(16,11-26)35-21)33-15(27)7-6-12-4-2-1-3-5-12/h1-9,13-14,16-23,25-26,28-30H,10-11H2/b
• 计算化学: 氢键受体数11.0氢键供体数5.0可旋转键数8.0

物理性质

• 沸点739.1±60.0 °C(预测)
• 闪点253.2±26.4 °C
• 密度1.56±0.1 g/cm3(预测)
• pKa:12.79±0.70(预测)
• PSA:147.44
• LogP:-0.6885
• 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
• 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
  2902300000-甲苯
  2902500000-苯乙烯
• 💡 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