CAS: 881388-87-0; Methyl 10,12B-Dimethyl-13-Oxo-2,2A,3,4,5,6,6A,7,9,10,11,12,12A,12B-Tetradecahydro-1H-11,12C-Methanocyclopenta[8,1]Azuleno[4,5-A]Indolizine-2-Carboxylate

• 英文名称Methyl 10,12B-Dimethyl-13-Oxo-2,2A,3,4,5,6,6A,7,9,10,11,12,12A,12B-Tetradecahydro-1H-11,12C-Methanocyclopenta[8,1]Azuleno[4,5-A]Indolizine-2-Carboxylate
• 中文名称虎皮楠生物碱 A
• IUPAC名称methyl 10,12b-dimethyl-13-oxo-2,2a,3,4,5,6,6a,7,9,10,11,12,12a,12b-tetradecahydro-1H-11,12c-methanocyclopenta[8,1]azuleno[4,5-a]indolizine-2-carboxylate
• 其它别名Daphniyunnine A; 1H-11,12C-Methanocyclopent[1,8]Azuleno[4,5-A]Indolizine-2-Carboxylic Acid, 2,2A,3,4,5,6,6A,7,9,10,11,12,12A,12B-Tetradecahydro-13-Oxo-10,12B-Dimethyl-, Methyl Ester, (2R,2Ar,6As,8S,10S,11R,12Ar,12Bs,12Cr)-
• CAS编号881388-87-0
• MFCD编号:MFCD20260470
• 分子式:C23H31NO3分子量:369.51
• 产品CID: 1890512
• 产品分类天然产物 → 生物碱

• 相似结构搜索
• InChIKey: UMIPHFQOKSWKPK-UHFFFAOYSA-N
• InChI=1S/C23H31NO3/c1-12-10-24-11-14-6-4-13-5-7-15-17(21(26)27-3)9-23(19(13)15)20(25)16(12)8-18(24)22(14,23)2/h12,14-18H,4-11H2,1-3H3
• 计算化学: 氢键受体数4.0氢键供体数*可旋转键数2.0

物理性质

• 熔点171-172 °C(溶剂: acetone (67-64-1))
• 沸点490.3±45.0 °C at 760 mmHg
• 闪点250.3±28.7 °C
• 密度1.2±0.1 g/cm3
• pKa:8.15±0.70(预测)
• PSA:46.61
• LogP:3.9
• 折射率1.599
• 蒸汽压0.0±1.2 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

合成工艺路线路线简述

海关参考信息

• 2901210000-乙烯
  2901220000-丙烯
  2905121000-正丙醇
  2912110000-甲醛
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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