Pregna-1,4-diene-3,20-dione,9-fluoro-11-hydroxy-6-methyl-, (6a,11b)- (9CI) | 1895-19-8
Pregna-1,4-diene-3,20-dione,9-fluoro-11-hydroxy-6-methyl-, (6a,11b)- (9CI)
1895-19-8
C22H29O3F
360.46226
名称和标识符
InChIKey |
ZHGQAFTZDPRKBI-UHFFFAOYSA-N |
Inchi |
InChI=1S/C22H29FO3/c1-12-9-18-16-6-5-15(13(2)24)20(16,3)11-19(26)22(18,23)21(4)8-7-14(25)10-17(12)21/h7-8,10,12,15-16,18-19,26H,5-6,9,11H2,1-4H3 |
SMILES |
O=C1C=CC2(C3(C(O)CC4(C)C(CCC4C3CC(C)C2=C1)C(=O)C)F)C |
别名信息
- 英文别名 -
- Pregna-1,4-diene-3,20-dione,9-fluoro-11-hydroxy-6-methyl-, (6a,11b)- (9CI)
- 9-fluoro-11beta-hydroxy-6alpha-methylpregna-1,4-diene-3,20-dione
- (6alpha,11beta)-9-fluoro-11-hydroxy-6-methylpregna-1,4-diene-3,20-dione
- 9-Fluoro-11β-hydroxy-6α-methylpregna-1,4-diene-3,20-dione
- (6S,8S,9R,10S,11S,13S,14S,17S)-17-acetyl-9-fluoro-11-hydroxy-6,10,13-trimethyl-7,8,11,12,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthren-3-one
- EINECS 217-583-4
- DTXSID70940464
- 9-Fluoro-11-hydroxy-6-methylpregna-1,4-diene-3,20-dione
- NS00045631
- 9-Fluoro-11beta-hydroxy-6alpha-methylpregna-1,4-diene-3,20-dione
- 1895-19-8
物化性质
实验特性
计算特性
精确分子量 |
360.21017 |
氢键供体数量 |
1 |
氢键受体数量 |
4 |
可旋转化学键数量 |
1 |
同位素质量 |
360.21007294g/mol |
重原子数量 |
26 |
复杂度 |
740 |
同位素原子数量 |
0 |
确定原子立构中心数量 |
8 |
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) |
2.9 |
拓扑分子极性表面积 |
54.4Ų |