[2-[(1S,2R,4S,4aR,8R,8aR)-4-acetyloxy-8-hydroxy-4a-(hydroxymethyl)-1,2-dimethylspiro[3,4,6,7,8,8a-hexahydro-2H-naphthalene-5,2'-oxirane]-1-yl]-1-(5-oxo-2H-furan-3-yl)ethyl] 2-methylbutanoate

[2-[(1S,2R,4S,4aR,8R,8aR)-4-acetyloxy-8-hydroxy-4a-(hydroxymethyl)-1,2-dimethylspiro[3,4,6,7,8,8a-hexahydro-2H-naphthalene-5,2'-oxirane]-1-yl]-1-(5-oxo-2H-furan-3-yl)ethyl] 2-methylbutanoate 基本信息
CAS号 123297-94-9 分子式 C27H40O9
分子量 508.60100 精确质量  508.26700
PSA  131.89000 LogP  2.31400

基本信息 展开↓

CAS号:
123297-94-9
3D弹球模型:
立即前往扯扯看
分子式:
C27H40O9
分子量:
508.60100
英文名称:
[2-[(1S,2R,4S,4aR,8R,8aR)-4-acetyloxy-8-hydroxy-4a-(hydroxymethyl)-1,2-dimethylspiro[3,4,6,7,8,8a-hexahydro-2H-naphthalene-5,2'-oxirane]-1-yl]-1-(5-oxo-2H-furan-3-yl)ethyl] 2-methylbutanoate
英文别名:
[2-[(1S,2R,4S,4aR,8R,8aR)-4-acetyloxy-8-hydroxy-4a-(hydroxymethyl)-1,2-dimethylspiro[3,4,6,7,8,8a-hexahydro-2H-naphthalene-5,2'-oxirane]-1-yl]-1-(5-oxo-2H-furan-3-yl)ethyl] 2-methylbutanoate;
Butanoic acid,2-methyl-,(1S)-2-[(1R,4R,4aR,5S,6R,8S,8aR)-8-(acetyloxy)octahydro-4-hydroxy-8a-(hydroxymethyl)-5,6-dimethylspiro[naphthalene-1(2H),2'-oxiran]-5-yl]-1-(2,5-dihydro-5-oxo-3-furanyl)ethylester, (2S)-
精确分子量/精确质量:
508.26700
极性分子表面积/PSA:
131.89000
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: RNYBHVLREIXMCA-RLMXGAKLSA-N

物化性质展开↓

密度:
1.26g/cm3
沸点:
651ºC at 760mmHg
闪点:
210.6ºC
折射率:
1.552
蒸汽压:
1.05E-19mmHg at 25°C

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  • 123297-96-1

    [(1S)-2-[(1S,2R,4S,4aR,8R,8aR)-4-acetyloxy-4a-(acetyloxymethyl)-8-hydroxy-1,2-dimethylspiro[3,4,6,7,8,8a-hexahydro-2H-naphthalene-5,2'-oxirane]-1-yl]-1-(5-oxo-2H-furan-3-yl)ethyl] (2S)-2-methylbutanoate

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