96862-24-7 ((1H,5H-Cyclopenta[f][1,2,4]triazolo[1,2-a]cinnoline-1,3(2H)-dione, 11-[3-bromo-5-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-2-methyl-1-cyclohexen-1-yl]-4a,6,6a,7,8,9,9a,11-octahydro-7-(5-hydroxy-1,5-dimethylhexyl)-6a-methyl-2-phenyl-, [4aR-[4aα,6aα,7α(R*),9aβ,11α(3S*,5R*)]]-)

CAS号:
96862-24-7
英文名称:
1H,5H-Cyclopenta[f][1,2,4]triazolo[1,2-a]cinnoline-1,3(2H)-dione, 11-[3-bromo-5-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-2-methyl-1-cyclohexen-1-yl]-4a,6,6a,7,8,9,9a,11-octahydro-7-(5-hydroxy-1,5-dimethylhexyl)-6a-methyl-2-phenyl-, [4aR-[4aα,6aα,7α(R*),9aβ,11α(3S*,5R*)]]-
分子式:
C41H62BrN3O4Si
分子量:
768.938191890717

1H,5H-Cyclopenta[f][1,2,4]triazolo[1,2-a]cinnoline-1,3(2H)-dione, 11-[3-bromo-5-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-2-methyl-1-cyclohexen-1-yl]-4a,6,6a,7,8,9,9a,11-octahydro-7-(5-hydroxy-1,5-dimethylhexyl)-6a-methyl-2-phenyl-, [4aR-[4aα,6aα,7α(R*),9aβ,11α(3S*,5R*)]]-(96862-24-7)名称与标识符

名称

英文别名:
1H,5H-Cyclopenta[f][1,2,4]triazolo[1,2-a]cinnoline-1,3(2H)-dione, 11-[3-bromo-5-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-2-methyl-1-cyclohexen-1-yl]-4a,6,6a,7,8,9,9a,11-octahydro-7-(5-hydroxy-1,5-dimethylhexyl)-6a-methyl-2-phenyl-, [4aR-[4aα,6aα,7α(R*),9aβ,11α(3S*,5R*)]]-;

标识符

InChIKey:
RLZWSRWCJCMDBF-ZQZUOYNPSA-N
Inchi:
1S/C41H62BrN3O4Si/c1-26(15-14-21-40(6,7)48)32-18-19-33-31-25-36(30-23-29(24-34(42)27(30)2)49-50(9,10)39(3,4)5)45-38(47)43(28-16-12-11-13-17-28)37(46)44(45)35(31)20-22-41(32,33)8/h11-13,16-17,25-26,29,32-36,48H,14-15,18-24H2,1-10H3/t26-,29+,32+,33-,34-,35+,36-,41+/m0/s1
SMILES:
N12C(=O)N(C3=CC=CC=C3)C(=O)N1[C@H](C1C[C@@H](O[Si](C(C)(C)C)(C)C)C[C@H](Br)C=1C)C=C1[C@@]2([H])CC[C@]2(C)[C@@H]([C@@H](C)CCCC(O)(C)C)CC[C@@]12[H]

1H,5H-Cyclopenta[f][1,2,4]triazolo[1,2-a]cinnoline-1,3(2H)-dione, 11-[3-bromo-5-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-2-methyl-1-cyclohexen-1-yl]-4a,6,6a,7,8,9,9a,11-octahydro-7-(5-hydroxy-1,5-dimethylhexyl)-6a-methyl-2-phenyl-, [4aR-[4aα,6aα,7α(R*),9aβ,11α(3S*,5R*)]]-(96862-24-7)物化性质

实验特性

  • 沸点 : 716.0±70.0 °C(Predicted)
  • 酸度系数(pKa) : 15.32±0.29(Predicted)
  • 密度 : 1.24±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)