CAS: 60048-88-6; Methyl (Z)-4-Ethylidene-1-Hydroxy-14-(Hydroxymethyl)-2,3,4,5,7,8-Hexahydro-1H,13H-3,8A-Methanoazepino[1',2':1,2]Pyrrolo[2,3-B]Indole-14-Carboxylate

• 英文名称Methyl (Z)-4-Ethylidene-1-Hydroxy-14-(Hydroxymethyl)-2,3,4,5,7,8-Hexahydro-1H,13H-3,8A-Methanoazepino[1',2':1,2]Pyrrolo[2,3-B]Indole-14-Carboxylate
• 中文名称N-去甲基鸡骨常山碱
• IUPAC名称methyl (Z)-4-ethylidene-1-hydroxy-14-(hydroxymethyl)-2,3,4,5,7,8-hexahydro-1H,13H-3,8a-methanoazepino[1',2':1,2]pyrrolo[2,3-b]indole-14-carboxylate
• 其它别名N-Demethylechitamine; 13H-3,8A-Methano-1H-Azepino[1',2':1,2]Pyrrolo[2,3-B]Indole-14-Carboxylic Acid, 4-Ethylidene-2,3,4,5,7,8-Hexahydro-1-Hydroxy-14-(Hydroxymethyl)-, Methyl Ester, (1S,3S,4E,6S,8As,13Ar,14R)-; Nb-Demethylechitamine
• CAS编号60048-88-6
• MFCD编号:MFCD17214797
• 分子式:C21H26N2O4分子量:370.45
• 产品CID: 1577328
• 产品分类天然产物 → 生物碱

• 相似结构搜索
• 产品信息参考;;;;
• InChIKey: VZZBVNLFHYEUHM-QLKAYGNNSA-N
• InChI=1S/C21H26N2O4/c1-3-13-11-23-9-8-20-14-6-4-5-7-16(14)22-21(20,23)17(25)10-15(13)19(20,12-24)18(26)27-2/h3-7,15,17,22,24-25H,8-12H2,1-2H3/b13-3+
• 计算化学: 氢键受体数6.0氢键供体数3.0可旋转键数3.0

物理性质

• PSA:82.03
• LogP:1.3202
• 溶解性Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
• 外观形态粉末

MSDS等安全信息

合成工艺路线路线简述

海关参考信息

• 2901210000-乙烯
  2901220000-丙烯
  2902600000-乙苯
  2902700000-异丙基苯
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• 详情请参考：📖 海关编码查询和海关进出口税则

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