167173-91-3
中文名称
isochromophilone VI
英文名称
isochromophilone VI
CAS
167173-91-3
分子式
C23H28ClNO5
分子量
433.93
MOL 文件
167173-91-3.mol
167173-91-3 结构式
基本信息
英文别名
Fo 3216ivFo-3216 vi
isochromophilone VI
Isochromophilone VI >=90% (LC/MS-ELSD)
6,8(2H,7H)-Isoquinolinedione, 7-(acetyloxy)-5-chloro-3-((1E,3E,5S)-3,5-dimethyl-1,3-heptadienyl)-2-(2-hydroxyethyl)-7-methyl-, (7R)-
6,8(2H,7H)-Isoquinolinedione, 7-(acetyloxy)-5-chloro-3-(3,5-dimethyl-1,3-heptadienyl)-2-(2-hydroxyethyl)-7-methyl-, (R-(R*,S*-(E,E)))-
6,8(2H,7H)-Isoquinolinedione, 7-(acetyloxy)-5-chloro-3-[(1E,3E,5S)-3,5-dimethyl-1,3-heptadien-1-yl]-2-(2-hydroxyethyl)-7-methyl-, (7R)-
物理化学性质
沸点543.5±50.0 °C(Predicted)
密度1.24±0.1 g/cm3(Predicted)
储存条件-20°C
酸度系数(pKa)14.46±0.10(Predicted)
形态solid
主要应用metabolomics
vitamins, nutraceuticals, and natural products
vitamins, nutraceuticals, and natural products
InChI1S/C23H28ClNO5/c1-6-14(2)11-15(3)7-8-17-12-18-19(13-25(17)9-10-26)21(28)23(5,30-16(4)27)22(29)20(18)24/h7-8,11-14,26H,6,9-10H2,1-5H3/b8-7+,15-11+/t14-,23+/m0/s1
InChIKeyZQLIAKJHIRHCFA-XIIQHIPDSA-N
SMILESCC[C@H](C)\C=C(C)\C=C\C1=CC2=C(Cl)C(=O)[C@](C)(OC(C)=O)C(=O)C2=CN1CCO