[2-[(8S,9R,10S,11S,13S,14S,17R)-9-Fluoro-11,17-dihydroxy-10,13-dimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] methanesulfonate -
CAS 382-66-1 MFCD00382661
化学结构图
SMILES: CC12C=CC(=O)C=C1CCC1C3CCC(O)(C(=O)COS(C)(=O)=O)C3(C)CC(O)C12F
化学属性
| Mol. Formula | C22 H29 F O7 S |
|---|---|
| Mol. Weight | 456.525 |
| Boiling Point | - |
| Flash Point | - |
别名和识别编码
| Chemical Name | [2-[(8S,9R,10S,11S,13S,14S,17R)-9-Fluoro-11,17-dihydroxy-10,13-dimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] methanesulfonate |
|---|---|
| Chemicalbook ID | CB6917500 |
| InChIKey | KAJUOVVZFKDIDI-UHRCDHPLSA-N |
| PubChem Substance ID | 20841599 |
| InChI | InChI=1S/C22H29FO7S/c1-19-8-6-14(24)10-13(19)4-5-16-15-7-9-21(27,18(26)12-30-31(3,28)29)20(15,2)11-17(25)22(16,19)23/h6,8,10,15-17,25,27H,4-5,7,9,11-12H2,1-3H3/t15-,16-,17-,19-,20-,21-,22-/m0/s1 |
| Chemical Name Translation | - |
| CAS Number | 382-66-1 |
| Synonym | (11beta)-9-Fluoro-11,17-dihydroxy-21-[(methylsulfonyl)oxy]pregna-1,4-diene-3,20-dione {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} (11β)-9-Fluoro-11,17-dihydroxy-21-[(methylsulfonyl)oxy]pregna-1,4-diene-3,20-dione {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} |
| Canonical SMILES | C[C@]12C[C@H](O)[C@@]3(F)[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@]2(O)C(=O)COS(=O)(=O)C |
| MDL Number | - |
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