[(3S,8S,9S,10R,13R,14S)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-7-oxo-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl] benzoate

[(3S,8S,9S,10R,13R,14S)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-7-oxo-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl] benzoate 基本信息
CAS号 6997-41-7 分子式 C34H48O3
分子量 504.74300 精确质量  504.36000
PSA  43.37000 LogP  8.43240

基本信息 展开↓

CAS号:
6997-41-7
3D弹球模型:
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分子式:
C34H48O3
分子量:
504.74300
中文名称:
[(3S,8S,9S,10R,13R,14S)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-7-oxo-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl] benzoate
英文名称:
[(3S,8S,9S,10R,13R,14S)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-7-oxo-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl] benzoate
中文别名:
[(3S,8S,9S,10R,13R,14S)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-7-oxo-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl] benzoate
英文别名:
[(3S,8S,9S,10R,13R,14S)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-7-oxo-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl] benzoate;
3|A-(Benzoyloxy)cholest-5-en-7-one;
[(3S,8S,9S,10R,13R,14S)-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-7-oxo-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl] benzoate;
7-keto-cholesteryl benzoate;
3beta-(Benzoyloxy)cholest-5-en-7-one;
3|A-Hydroxy-cholest-5-en-7-one Benzoate
精确分子量/精确质量:
504.36000
极性分子表面积/PSA:
43.37000
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: CSZVQZAYIQQOMB-CKZQZXSRSA-N

物化性质展开↓

外观与性状:
白色固体
密度:
1.078g/cm3
熔点:
159-160ºC
沸点:
596.285ºC at 760 mmHg
闪点:
247.417ºC
折射率:
1.552
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