CAS: 865187-17-3; Methyl (2S,6R,E)-5-Ethylidene-14-(Hydroxymethyl)-3-Methyl-8-Oxo-2,3,4,5,6,7,8,9-Octahydro-1H-2,6-Methanoazecino[5,4-B]Indole-14-Carboxylate

• 英文名称Methyl (2S,6R,E)-5-Ethylidene-14-(Hydroxymethyl)-3-Methyl-8-Oxo-2,3,4,5,6,7,8,9-Octahydro-1H-2,6-Methanoazecino[5,4-B]Indole-14-Carboxylate
• 中文名称16-表-NB-甲基伏康树卡平碱
• IUPAC名称methyl (2S,6R,E)-5-ethylidene-14-(hydroxymethyl)-3-methyl-8-oxo-2,3,4,5,6,7,8,9-octahydro-1H-2,6-methanoazecino[5,4-b]indole-14-carboxylate
• 其它别名(19E)-Gelsempervine C; 16-Epi-Nb-Methylvoacarpine; Gelsempervine A; 2,6-Methano-1H-Azecino[5,4-B]Indole-14-Carboxylic Acid, 5-Ethylidene-2,3,4,5,6,7,8,9-Octahydro-14-(Hydroxymethyl)-3-Methyl-8-Oxo-, Methyl Ester, (2S,5E,6S,14R)-
• CAS编号865187-17-3
• MFCD编号:MFCD28016488
• 分子式:C22H26N2O4分子量:382.46
• 产品CID: 1867464
• 产品分类天然产物 → 生物碱

• 相似结构搜索
• InChIKey: CZRUSFCSECMUDS-BVVQGLQOSA-N
• InChI=1S/C22H26N2O4/c1-4-13-11-24(2)19-9-15-14-7-5-6-8-17(14)23-20(15)18(26)10-16(13)22(19,12-25)21(27)28-3/h4-8,16,19,23,25H,9-12H2,1-3H3/b13-4-/t16-,19+,22 /m1/s1
• 计算化学: 氢键受体数5.0氢键供体数2.0可旋转键数3.0

物理性质

• 沸点549.4±50.0 °C at 760 mmHg
• 闪点286.0±30.1 °C
• 密度1.3±0.1 g/cm3
• PSA:82.63
• LogP:3.35
• 折射率1.647
• 蒸汽压0.0±1.6 mmHg at 25°C
• 溶解性Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
• 外观形态粉末
• 储存条件2-8°C，干燥环境，密闭

MSDS等安全信息

• 危险品标志Xi

上下游产品

合成工艺路线路线简述

• 114027-38-2 = 865187-17-3
  反应条件:1.1 Reagents: Hydrogen Catalysts: Palladium Solvents: Water; 31 H,25 °C
  标题:Six New Indole Alkaloids From Gelsemium Sempervirens Ait. F.
  作者:Kogure,Noriyuki; Et Al
  参考文献:Tetrahedron Letters 日期:2005 卷标:46(35) 页码:5857-5861

海关参考信息

• 2901210000-乙烯
  2901220000-丙烯
  2902200000-苯
  2905121000-正丙醇
• 💡 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

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