86307-42-8 ((1H,5H-Cyclopenta[f][1,2,4]triazolo[1,2-a]cinnoline-1,3(2H)-dione, 11-[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(S*)]]- (9CI))

CAS号:
86307-42-8
英文名称:
1H,5H-Cyclopenta[f][1,2,4]triazolo[1,2-a]cinnoline-1,3(2H)-dione, 11-[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(S*)]]- (9CI)
分子式:
C41H63N3O4Si
分子量:
690.042132616043

1H,5H-Cyclopenta[f][1,2,4]triazolo[1,2-a]cinnoline-1,3(2H)-dione, 11-[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(S*)]]- (9CI)(86307-42-8)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-[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(S*)]]- (9CI);

标识符

InChIKey:
XXLPBTRSHBXEQM-LEWZLLLZSA-N
Inchi:
1S/C41H63N3O4Si/c1-27-18-19-30(48-49(9,10)39(3,4)5)25-31(27)36-26-32-34-21-20-33(28(2)15-14-23-40(6,7)47)41(34,8)24-22-35(32)43-37(45)42(38(46)44(36)43)29-16-12-11-13-17-29/h11-13,16-17,26,28,30,33-36,47H,14-15,18-25H2,1-10H3/t28-,30?,33+,34-,35+,36-,41+/m0/s1
SMILES:
N12C(=O)N(C3=CC=CC=C3)C(=O)N1[C@H](C1CC(O[Si](C(C)(C)C)(C)C)CCC=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-[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(S*)]]- (9CI)(86307-42-8)物化性质

实验特性

  • 沸点 : 692.7±65.0 °C(Predicted)
  • 酸度系数(pKa) : 15.32±0.29(Predicted)
  • 密度 : 1.13±0.1 g/cm3(Predicted)