(2S,3S,4S,5R,6R)-6-[[(3R,5S,8S,10S,11S,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

(2S,3S,4S,5R,6R)-6-[[(3R,5S,8S,10S,11S,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid 基本信息
CAS号 30954-21-3 分子式 C27H42O11
分子量 542.61600 精确质量  542.27300
PSA  194.21000 LogP  -0.43020
目录

基本信息 展开↓

CAS号:
30954-21-3
3D弹球模型:
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分子式:
C27H42O11
分子量:
542.61600
中文名称:
(2S,3S,4S,5R,6R)-6-[[(3R,5S,8S,10S,11S,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
英文名称:
(2S,3S,4S,5R,6R)-6-[[(3R,5S,8S,10S,11S,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
中文别名:
(2S,3S,4S,5R,6R)-6-[[(3R,5S,8S,10S,11S,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
英文别名:
(2S,3S,4S,5R,6R)-6-[[(3R,5S,8S,10S,11S,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;
11|A,17,21-trihydroxy-20-oxo-5|A-pregnan-3|A-yl |A-D-Glucopyranosiduronic Acid;
Allotetrahydrocortisol 3-Glucuronide;
5|A-Tetrahydrocortisol-3-monoglucuronide;
(3|A,5|A,11|A)-11,17,21-trihydroxy-20-oxopregnan-3-yl |A-D-Glucopyranosiduronic Acid;
Allo-3|A-tetrahydro Cortisol 3-O-|A-D-Glucuronide
精确分子量/精确质量:
542.27300
极性分子表面积/PSA:
194.21000
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: OZINUFSVVJAFHD-ZRTQGLGTSA-N
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