(8S,9S,13S,14S)-3-hydroxy-13-methyl-2,4-dinitro-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one

(8S,9S,13S,14S)-3-hydroxy-13-methyl-2,4-dinitro-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one 基本信息
CAS号 42979-83-9 分子式 C18H20N2O6
分子量 360.36100 精确质量  360.13200
PSA  128.94000 LogP  4.68020

基本信息 展开↓

CAS号:
42979-83-9
3D弹球模型:
立即前往扯扯看
分子式:
C18H20N2O6
分子量:
360.36100
英文名称:
(8S,9S,13S,14S)-3-hydroxy-13-methyl-2,4-dinitro-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
英文别名:
(8S,9S,13S,14S)-3-hydroxy-13-methyl-2,4-dinitro-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one;
2,4-dinitro-3-diethylamino-6-trifluoromethylchlorobenzene;
3-chloro-N,N-diethyl-2,6-dinitro-4-trifluoromethylaniline;
2,4-dinitro estrone;
4-trifluoromethyl-2,6-dinitro-3-chloro-N,N-diethylaniline;
2-Chloro-4-diethylamino-3,5-dinitrotrifluoromethylbenzene;
N,N-Diethyl-3-chloro-2,6-dinitro-4-trifluoromethylaniline;
2-chloro-4-diethylamino-3,5-dinitrobenzotrifluoride
精确分子量/精确质量:
360.13200
极性分子表面积/PSA:
128.94000
油水分配系数/LogP:

LogP值指的是某物质在正辛醇/水两相体系中的分配系数的对数值,反映了物质在油水两相中的分配情况。其中、LogP值越大,说明该物质越亲油;反之,LogP值越小,则说明该物质越亲水。
InChI:
The Key: OUTYSJWUIGIGQH-HIONPOMWSA-N

物化性质展开↓

密度:
1.408g/cm3
沸点:
465ºC at 760 mmHg
闪点:
185ºC
折射率:
1.63

合成路线查看所有的合成路线

  • 53-16-7

    雌酚酮

  • ~92%

  • 42979-83-9

    (8S,9S,13S,14S)-3-hydroxy-13-methyl-2,4-dinitro-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one

  • 53-16-7

    雌酚酮

  • ~67%

  • 5976-73-8

    (8R,9S,13S,14S)-3-hydroxy-13-methyl-2-nitro-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one

  • +

  • 42979-83-9

    (8S,9S,13S,14S)-3-hydroxy-13-methyl-2,4-dinitro-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one

  • 53-16-7

    雌酚酮

  • 5976-73-8

    (8R,9S,13S,14S)-3-hydroxy-13-methyl-2-nitro-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one

  • +

  • 5976-74-9

    2-(N-ethyl-3-methyl-4-nitrosoanilino)ethanol

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    13-methyl-2,4-dinitro-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol

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