2-[2-[(8S,9S,10R,13S,14S,17R)-17-hydroxy-10,13-dimethyl-3,11-dioxo-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl]sulfanylacetic acid

2-[2-[(8S,9S,10R,13S,14S,17R)-17-hydroxy-10,13-dimethyl-3,11-dioxo-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl]sulfanylacetic acid 基本信息
CAS号 114223-07-3 分子式 C23H30O6S
分子量 434.54600 精确质量  434.17600
PSA  134.04000 LogP  2.81530

基本信息 展开↓

CAS号:
114223-07-3
3D弹球模型:
立即前往扯扯看
分子式:
C23H30O6S
分子量:
434.54600
英文名称:
2-[2-[(8S,9S,10R,13S,14S,17R)-17-hydroxy-10,13-dimethyl-3,11-dioxo-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl]sulfanylacetic acid
英文别名:
2-[2-[(8S,9S,10R,13S,14S,17R)-17-hydroxy-10,13-dimethyl-3,11-dioxo-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl]sulfanylacetic acid;
Acetic acid,[(17-hydroxy-3,11,20-trioxopregn-4-en-21-yl)thio]- (6CI,9CI)
精确分子量/精确质量:
434.17600
极性分子表面积/PSA:
134.04000
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: IWKCRBDVDSOWKC-RVVAPLPOSA-N

物化性质展开↓

密度:
1.34g/cm3
沸点:
648ºC at 760mmHg
闪点:
345.7ºC
折射率:
1.606
蒸汽压:
1.56E-19mmHg at 25°C

合成路线查看所有的合成路线

  • 26987-66-6

    26987-66-6

  • +

  • 68-11-1

    硫代乙醇酸

  • ~81%

  • 114223-07-3

    2-[2-[(8S,9S,10R,13S,14S,17R)-17-hydroxy-10,13-dimethyl-3,11-dioxo-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl]sulfanylacetic acid

  • 125118-31-2

    125118-31-2

  • ~76%

  • 114223-07-3

    2-[2-[(8S,9S,10R,13S,14S,17R)-17-hydroxy-10,13-dimethyl-3,11-dioxo-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl]sulfanylacetic acid

  • 5783-48-2

    17α-hydroxy-21-methylsulphonyloxypregn-4-ene-3,11,20-trione

  • 114223-07-3

    2-[2-[(8S,9S,10R,13S,14S,17R)-17-hydroxy-10,13-dimethyl-3,11-dioxo-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl]sulfanylacetic acid

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  • 68-11-1

    硫代乙醇酸

  • 5783-48-2

    17α-hydroxy-21-methylsulphonyloxypregn-4-ene-3,11,20-trione

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