结构:CC(=O)OCC(=O)[C@@]1(OC(C)=O)CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@@]3(F)[C@@H](O[Si](C)(C)C)C[C@@]21C
HCID22798521

11beta-Trimethylsiloxy-17alpha,21-diacetoxy9alphafluoro-5alpha-pregnane3,20-dione

[2-[(5S,8S,9R,10S,11S,13S,14S,17R)-17-acetyloxy-9-fluoro-10,13-dimethyl-3-oxo-11-trimethylsilyloxy-1,2,4,5,6,7,8,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate

C28H43FO7Si538.7 g/mol

IDENTITY

结构与身份

标准 SMILES
CC(=O)OCC(=O)[C@@]1(OC(C)=O)CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@@]3(F)[C@@H](O[Si](C)(C)C)C[C@@]21C
InChIKey
SQDWFDGQPFKDDF-JTIFONBXSA-N
分子式
C28H43FO7Si
平均分子量
538.7 g/mol
单同位素质量
538.2762084

COMPUTED

结构计算性质

已同步
极性表面积
96 Ų
氢键供体
0
氢键受体
8
可旋转键
8
重原子
37
形式电荷
0
复杂度
994

ALIASES

名称与别名

3
SCHEMBL11706150SQDWFDGQPFKDDF-JTIFONBXSA-N11beta-trimethylsiloxy-17alpha,21-diacetoxy9alphafluoro-5alpha-pregnane3,20-dione

REACTIONS

参与反应

1