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

(4R)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-12-oxo-1,2,3,4,5,6,7,8,9,11,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid 基本信息
CAS号 2555-11-5 分子式 C8H13NO
分子量 139.19500 精确质量  139.10000
PSA  29.10000 LogP  1.25140

等价的CAS号:

2555-11-5,10479-68-2,84585-75-1

基本信息 展开↓

CAS号:
2555-11-5
3D弹球模型:
立即前往扯扯看
分子式:
C8H13NO
分子量:
139.19500
英文名称:
(4R)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-12-oxo-1,2,3,4,5,6,7,8,9,11,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid
英文别名:
(4R)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-12-oxo-1,2,3,4,5,6,7,8,9,11,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid;
1-oxo-hexahydro-iso-indoline;
octahydro-1H-isoindol-1-one;
trans-perhydroindole-2-carboxylic acid;
exo-5-Formyloxy-octahydro-exo-4,7-methanoinden;
2,3,3a,4,5,6,7,7a-octahydroindol-2-carboxylic acid;
octahydro-isoindol-1-one;
octahydroindole-2-carboxylic acid;
Octahydro-exo-4,7-methanoinden-exo-5-ol-ameisensaeureester;
4,7-Methanohydrindane-5-ol formate;
octahydro-isoindole-1-one
精确分子量/精确质量:
139.10000
极性分子表面积/PSA:
29.10000
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: JKYNCKNIVHDOKU-BQBZGAKWSA-N

物化性质展开↓

密度:
1.044g/cm3
沸点:
308.5ºC at 760mmHg
闪点:
176.8ºC

合成路线查看所有的合成路线

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

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  • ~78%

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

  • 18448-47-0

    1-环己烯基-1-甲酸甲酯

  • 2555-11-5

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

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