methyl (2S,4aR,6aR,9R,10aR,10bS)-2-(furan-3-yl)-4a-hydroxy-6a,10b-dimethyl-4-oxo-9-(((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-1,4,4a,5,6,6a,9,10,10a,10b-decahydro-2H-benzo[f]isochromene-7-carboxylate

methyl (2S,4aR,6aR,9R,10aR,10bS)-2-(furan-3-yl)-4a-hydroxy-6a,10b-dimethyl-4-oxo-9-(((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-1,4,4a,5,6,6a,9,10,10a,10b-decahydro-2H-benzo[f]isochromene-7-carboxylate 基本信息
CAS号 1383977-51-2 分子式 C27H36O12
分子量 552.56800 精确质量  552.22100
PSA  185.35000 LogP  0.10950
目录

基本信息 展开↓

CAS号:
1383977-51-2
3D弹球模型:
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分子式:
C27H36O12
分子量:
552.56800
英文名称:
methyl (2S,4aR,6aR,9R,10aR,10bS)-2-(furan-3-yl)-4a-hydroxy-6a,10b-dimethyl-4-oxo-9-(((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-1,4,4a,5,6,6a,9,10,10a,10b-decahydro-2H-benzo[f]isochromene-7-carboxylate
英文别名:
methyl (2S,4aR,6aR,9R,10aR,10bS)-2-(furan-3-yl)-4a-hydroxy-6a,10b-dimethyl-4-oxo-9-(((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-1,4,4a,5,6,6a,9,10,10a,10b-decahydro-2H-benzo[f]isochromene-7-carboxylate;
Tinospinoside C
精确分子量/精确质量:
552.22100
极性分子表面积/PSA:
185.35000
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: SFZVAPHHIUDDEI-BAXBFVPBSA-N
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