basic_info |
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| Product_Name: | 1,4,PREGNADIEN-11BETA,17,20BETA,21-TETROL-3-ONE |
| CAS: | 15847-24-2 |
| EnglishSynonyms: | 1,4,PREGNADIEN-11BETA,17,20BETA,21-TETROL-3-ONE ; 20BETA-HYDROXY PREDNISOLONE ; 20R-DIHYDROPREDNISOLONE ; 20BETA-DIHYDROPREDNISOLONE |
| pro_mdlNumber: | MFCD00200399 |
| pro_acceptors: | 5 |
| pro_donors: | 4 |
| pro_smile: | C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1CC[C@@]2([C@@H](CO)O)O)CCC4=CC(=O)C=C[C@]34C)O |
| InChi: | InChI=1S/C21H30O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h5,7,9,14-18,22,24-26H,3-4,6,8,10-11H2,1-2H3/t14-,15-,16-,17+,18+,19-,20-,21-/m0/s1 |
| InChiKey: | InChIKey=LCOVYWIXMAJCDS-LCGKLAOVSA-N |
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