去氧皮质酮 | 64-85-7
中文名称:
去氧皮质酮
英文名称:
11-Deoxy Corticosterone
CAS No.:
64-85-7
分子式:
C2 1 H3 0 O3
分子量:
330.4611
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:去氧皮质酮结构式
名称和标识符
MDL
MFCD00003661
Inchi
1S/C21H30O3/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h11,15-18,22H,3-10,12H2,1-2H3/t15-,16-,17-,18+,20-,21-/m0/s1
SMILES
C[C@@]12[C@@H](C(CO)=O)CC[C@@]1([H])[C@]3([H])CCC4=CC(CC[C@]4(C)[C@@]3([H])CC2)=O
别名信息
- 中文别名 -
去氧皮质酮
21-羟基孕酮
11-去氧皮质酮
11去氧皮质酮
去氧皮甾酮
11-脱氧肾上腺皮质甾酮
21α-羟基孕酮
羟基孕酮
去氧皮质酮 标准品
脱氧肾上腺皮质甾酮
- 英文别名 -
Desoxycorticosterone
11-Deoxycorticosterone
21-Hydroxypregn-4-ene-3,20-dione
21-Hydroxyprogesterone
4-Pregnen-21-ol-3,20-dione
Cortexone
Deoxycorticosterone
(8S,9S,10R,13S,14S,17S)-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
11-Deoxycorticosterone solution
Desoxycorticosterone2.5GR
HYDROXYPROGESTERONE, 21-(RG)
物化性质
实验特性
LogP
3.69590
PSA
54.37000
Merck
13,2917
折射率
1.5192 (estimate)
水溶性
微溶
沸点
407.89°C (rough estimate)
熔点
138-144 ºC
闪点
华氏:48.2 °F 摄氏:9 °C
浓度
100 μg/mL in methanol
溶解性
: 略溶于水。
比旋光度
184 º (c=1, C2H5OH)
密度
1.0998 (rough estimate)
计算特性
精确分子量
330.21900
氢键供体数量
1
氢键受体数量
3
可旋转化学键数量
2
重原子数量
24
复杂度
606
同位素原子数量
0
确定原子立构中心数量
6
不确定原子立构中心数量
0
确定化学键立构中心数量
0
不确定化学键立构中心数量
0
共价键单元数量
1
疏水参数计算参考值(XlogP)
无
互变异构体数量
20
表面电荷
0
海关数据
海关编码
2942000000
海关数据
中国海关编码:
2942000000
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