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| Product_Name: | 4-PREGNEN-17A, 20B-DIOL-3-ONE-20-SULFATE |
| CAS: | 138949-80-1 |
| EnglishSynonyms: | (20R)-17-HYDROXY-20-(SULFOOXY)-PREGN-4-EN-3-ONE ; 17ALPHA,20BETA-DIHYDROXY-4-PREGNEN-3-ONE-20-SULFATE ; 4-PREGNEN-17ALPHA,20BETA-DIOL-3-ONE-20-SULFATE ; 4-PREGNEN-17A, 20BETA-DIOL-3-ONE-20-SULFATE ; 4-PREGNEN-17A, 20B-DIOL-3-ONE-20-SULFATE |
| pro_mdlNumber: | MFCD02094287 |
| pro_acceptors: | 6 |
| pro_donors: | 2 |
| pro_smile: | C[C@@H]([C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C)O)OS(=O)(=O)O |
| InChi: | InChI=1S/C21H32O6S/c1-13(27-28(24,25)26)21(23)11-8-18-16-5-4-14-12-15(22)6-9-19(14,2)17(16)7-10-20(18,21)3/h12-13,16-18,23H,4-11H2,1-3H3,(H,24,25,26)/t13-,16+,17-,18-,19-,20-,21-/m0/s1 |
| InChiKey: | InChIKey=ICFRLXUMZOYPOT-HNXXTFFGSA-N |
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