9-Fluoro-11,16,17,21-tetrahydroxypregna-1,4-diene-3,20-dione21-acetate 2-(8S,9R,10S,11S,13S,14S,16R,17S)-9-氟-11,16,17-三羟基-10,13-二甲基-3-氧-6,7,8,9,10,11,12,13,14,15,16,17-十二氢-3H-环戊基[a]菲-17-基)-2-氧乙基醋酸盐 （曲安西龙杂质）
CAS 3859-65-2 MFCD03859652
化学结构图
SMILES: CC(=O)OCC(=O)[C@@]1(O)C(O)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)C3(F)C(O)C[C@@]21C
化学属性
| Mol. Formula | C23H29FO7 |
|---|---|
| Mol. Weight | 436.47 |
别名和识别编码
| Chemical Name | 9-Fluoro-11,16,17,21-tetrahydroxypregna-1,4-diene-3,20-dione21-acetate |
|---|---|
| Chemical Name Translation | 2-(8S,9R,10S,11S,13S,14S,16R,17S)-9-氟-11,16,17-三羟基-10,13-二甲基-3-氧-6,7,8,9,10,11,12,13,14,15,16,17-十二氢-3H-环戊基[a]菲-17-基)-2-氧乙基醋酸盐 （曲安西龙杂质） |
| Chemicalbook ID | CB91452896 |
| PubChem Substance ID | 22793126 |
| InChI | InChI=1S/C23H29FO7/c1-12(25)31-11-19(29)23(30)17(27)9-16-15-5-4-13-8-14(26)6-7-20(13,2)22(15,24)18(28)10-21(16,23)3/h6-8,15-18,27-28,30H,4-5,9-11H2,1-3H3/t15-,16-,17+,18-,20-,21-,22-,23-/m0/s1 |
| CAS Number | 3859-65-2 |
| Synonym | 2-((8S,9R,10S,11S,13S,14S,16R,17S)-9-Fluoro-11,16,17-trihydroxy-10,13-dimethyl-3-oxo-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-17-yl)-2-oxoethyl acetate (Triamcinolone Impurity) {LY} 2-((8S,9R,10S,11S,13S,14S,16R,17S)-9-Fluoro-11,16,17-trihydroxy-10,13-dimethyl-3-oxo-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-17-yl)-2-oxoethyl acetate (Triamcinolone Impurity) {} {LY} 2-((8S,9R,10S,11S,13S,14S,16R,17S)-9-Fluoro-11,16,17-trihydroxy-10,13-dimethyl-3-oxo-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-17-yl)-2-oxoethyl acetate (Triamcinolone Impurity) {} {} {LY} 2-((8S,9R,10S,11S,13S,14S,16R,17S)-9-Fluoro-11,16,17-trihydroxy-10,13-dimethyl-3-oxo-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-17-yl)-2-oxoethyl acetate (Triamcinolone Impurity) {} {} {} {LY} 2-((8S,9R,10S,11S,13S,14S,16R,17S)-9-Fluoro-11,16,17-trihydroxy-10,13-dimethyl-3-oxo-6,7,8,9,10,11,12,13,14,15,16,17-do |
| Canonical SMILES | C[C@@]12[C@](C[C@H]([C@]2(O)C(COC(C)=O)=O)O)([H])[C@@]3([H])[C@@]([C@@]4(C(CC3)=CC(C=C4)=O)C)([C@H](C1)O)F |
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