CAS: 114027-38-2; Methyl (6R,7R,10S,11R,11As,E)-9-Ethylidene-6-Hydroxy-11-(Hydroxymethyl)-5,6,8,9,10,11,11A,12-Octahydro-6,10-Methanoindolo[3,2-B]Quinolizine-11-Carboxylate

• 英文名称Methyl (6R,7R,10S,11R,11As,E)-9-Ethylidene-6-Hydroxy-11-(Hydroxymethyl)-5,6,8,9,10,11,11A,12-Octahydro-6,10-Methanoindolo[3,2-B]Quinolizine-11-Carboxylate
• 中文名称16-表伏康树卡平碱
• IUPAC名称methyl (6R,7R,10S,11R,11aS,E)-9-ethylidene-6-hydroxy-11-(hydroxymethyl)-5,6,8,9,10,11,11a,12-octahydro-6,10-methanoindolo[3,2-b]quinolizine-11-carboxylate
• 其它别名16-Epi-Voacarpine; (16R)-3,17-Dihydroxysarpagan-16-Carboxylic Acid Methyl Ester; Sarpagan-16-Carboxylic Acid, 3,17-Dihydroxy-, Methyl Ester, (16R)-; 16-Epivoacarpine,Inhibitor,16 Epivoacarpine,16Epivoacarpine,Inhibit; Methyl (6R,7R,10S,11R,11As,E)-9-Ethylidene-6-Hydroxy-11-(Hydroxymethyl)-5,6,8,9,10,11,11A,12-Octahydro-6,10-Methanoindolo[3,2-B]Quinolizine-11-Carboxylate; 16-Epivoacarpine, 10 Mm In Dmso
• CAS编号114027-38-2
• MFCD编号:MFCD28016420
• 分子式:C21H24N2O4分子量:368.43
• 产品CID: 172566
• 产品分类天然产物 → 生物碱

• 相似结构搜索
• InChIKey: ZROBSNVANUBAJZ-LWKNIGJSSA-N
• InChI=1S/C21H24N2O4/c1-3-12-10-23-17-8-14-13-6-4-5-7-16(13)22-18(14)21(23,26)9-15(12)20(17,11-24)19(25)27-2/h3-7,15,17,22,24,26H,8-11H2,1-2H3/b12-3-/t15-,17-,20+,21+/m0/s
• 计算化学: 氢键受体数5.0氢键供体数3.0可旋转键数3.0

物理性质

• 熔点162-165 °C
• 沸点548.9±50.0 °C(预测)
• 密度1.42±0.1 g/cm3(预测)
• pKa:13.06±0.40(预测)
• PSA:85.79
• LogP:1.6091
• 溶解性Soluble In Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,Etc.
• 外观形态白色至类白色粉末

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
  2902200000-苯
  2905121000-正丙醇
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