4-((3S,5R,8R,9S,10S,13R,14S,17S)-3-(((2R,3S,4R,5S,6S)-3,5-dihydroxy-4-methoxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-14-hydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)furan-2(5H)-one

4-((3S,5R,8R,9S,10S,13R,14S,17S)-3-(((2R,3S,4R,5S,6S)-3,5-dihydroxy-4-methoxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-14-hydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)furan-2(5H)-one 基本信息
CAS号 7044-31-7 分子式 C30H46O8
分子量 534.68100 精确质量  534.31900
PSA  114.68000 LogP  3.11020

等价的CAS号:

466-07-9,560-67-8,4356-33-6,4477-75-2,7044-31-7,18810-25-8,34302-25-5,61217-80-9,65336-75-6,111613-31-1,145921-45-5
目录

基本信息 展开↓

CAS号:
7044-31-7
3D弹球模型:
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分子式:
C30H46O8
分子量:
534.68100
英文名称:
4-((3S,5R,8R,9S,10S,13R,14S,17S)-3-(((2R,3S,4R,5S,6S)-3,5-dihydroxy-4-methoxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-14-hydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)furan-2(5H)-one
英文别名:
4-((3S,5R,8R,9S,10S,13R,14S,17S)-3-(((2R,3S,4R,5S,6S)-3,5-dihydroxy-4-methoxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-14-hydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)furan-2(5H)-one;
17alpha-Digitoxigenin thevetoside;
17alpha-Neriifolin
精确分子量/精确质量:
534.31900
极性分子表面积/PSA:
114.68000
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: VPUNMTHWNSJUOG-YOTNSGMISA-N
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