18904-54-6 (柯楠因,Corynantheine)

结构式:
CAS号:
18904-54-6
中文名称:
柯楠因
英文名称:
Corynantheine
分子式:
C22H26N2O3
分子量:
366.453445911407

柯楠因(18904-54-6)名称与标识符

名称

中文别名:
柯楠因;
英文别名:
Indolo[2,3-a]quinolizine-2-aceticacid, 3-ethenyl-1,2,3,4,6,7,12,12b-octahydro-a-(methoxymethylene)-, methyl ester, (aE,2S,3R,12bS)-;Corynantheine;Indolo[2,3-a]quinolizine-2-aceticacid, 3-ethenyl-1,2,3,4,6,7,12,12b-octahydro-a-(methoxymethylene)-, methyl ester, (aE,2S,3R,;methyl (Z)-2-[(2S,3R,12bS)-3-ethenyl-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-2-yl]-3-methoxyprop-2-enoate;17-methoxy-coryna-16,18-diene-16-carboxylic acid methyl ester;hirsuteine;Brn 0096586;(16E)-16,17,18,19-Tetradehydro-17-methoxycorynan-16-carboxylic acid methyl ester;17,18-Secoyohimban-16-carboxylic acid, 16,17,18,19-tetradehydro-17-methoxy-, methyl ester, (E)-;

标识符

InChIKey:
TZUGIFAYWNNSAO-XPOGPMDLSA-N
Inchi:
1S/C22H26N2O3/c1-4-14-12-24-10-9-16-15-7-5-6-8-19(15)23-21(16)20(24)11-17(14)18(13-26-2)22(25)27-3/h4-8,13-14,17,20,23H,1,9-12H2,2-3H3/b18-13+/t14-,17-,20-/m0/s1
SMILES:
O(C)C(/C(=C/OC)/[C@@H]1[C@@H](C=C)CN2CCC3C4C=CC=CC=4NC=3[C@@H]2C1)=O

柯楠因(18904-54-6)物化性质

实验特性

  • LogP : 3.53040
  • PSA : 54.56000
  • 折射率 : 1.6500 (estimate)
  • 沸点 : 497.22°C (rough estimate)
  • 熔点 : 103-107°; mp 165-166°
  • 颜色与性状 : Powder
  • 比旋光度 : D +28° (c = 1 in methanol)
  • 密度 : 1.1686 (rough estimate)

计算特性

  • 精确分子量 : 366.19400