basic_info |
|
| Product_Name: | 17-ALPHA,20-ALPHA,21-TRIHYDROXYPREGN-4-EN-3-ONE |
| CAS: | 3946-10-9 ;128-19-8 |
| EnglishSynonyms: | 17-ALPHA,20-ALPHA,21-TRIHYDROXYPREGN-4-EN-3-ONE ; 4-PREGNEN-17-ALPHA,20-ALPHA,21-TRIOL-3-ONE |
| pro_mdlNumber: | MFCD00051138 |
| pro_acceptors: | 4 |
| pro_donors: | 3 |
| pro_smile: | C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@]4([C@H](CO)O)O)C |
| InChi: | InChI=1S/C21H32O4/c1-19-8-5-14(23)11-13(19)3-4-15-16(19)6-9-20(2)17(15)7-10-21(20,25)18(24)12-22/h11,15-18,22,24-25H,3-10,12H2,1-2H3/t15-,16+,17+,18+,19+,20+,21+/m1/s1 |
| InChiKey: | InChIKey=XNFSGLNHLVHCFT-MQWPULPWSA-N |
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