(8R,9S,10R,13S,14S)-10,13-dimethyl-4-phenylsulfanyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dione

(8R,9S,10R,13S,14S)-10,13-dimethyl-4-phenylsulfanyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dione 基本信息
CAS号 100513-95-9 分子式 C25H30O2S
分子量 394.57000 精确质量  394.19700
PSA  59.44000 LogP  6.20740

基本信息 展开↓

CAS号:
100513-95-9
3D弹球模型:
立即前往扯扯看
分子式:
C25H30O2S
分子量:
394.57000
英文名称:
(8R,9S,10R,13S,14S)-10,13-dimethyl-4-phenylsulfanyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dione
英文别名:
(8R,9S,10R,13S,14S)-10,13-dimethyl-4-phenylsulfanyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dione;
4-phenylthio-4-androstene-3,17-dione;
4-Ptad;
Androst-4-ene-3,17-dione,4-(phenylthio)
精确分子量/精确质量:
394.19700
极性分子表面积/PSA:
59.44000
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: CLKVUYDHWSHNGQ-BKCLIDBKSA-N

物化性质展开↓

密度:
1.2g/cm3
沸点:
554.2ºC at 760mmHg
闪点:
228.9ºC
折射率:
1.612
蒸汽压:
2.52E-12mmHg at 25°C

合成路线查看所有的合成路线

  • 108-98-5

    硫酚

  • +

  • 7430-11-7

    (4β,5)-epoxy-5β-androstan-3,17-dione

  • ~83%

  • 100513-95-9

    (8R,9S,10R,13S,14S)-10,13-dimethyl-4-phenylsulfanyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dione

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  • 108-98-5

    硫酚

  • 7430-11-7

    (4β,5)-epoxy-5β-androstan-3,17-dione

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