basic_info |
|
| Product_Name: | 1,3,5(10)-ESTRATRIEN-3,16ALPHA,17BETA-TRIOL-6-ONE TRIACETATE |
| EnglishSynonyms: | 6-KETOESTRIOL TRIACETATE ; 1,3,5(10)-ESTRATRIEN-3,16ALPHA,17BETA-TRIOL-6-ONE TRIACETATE |
| pro_mdlNumber: | MFCD00271598 |
| pro_acceptors: | 7 |
| pro_donors: | 0 |
| pro_smile: | CC(=O)Oc1ccc2c(c1)C(=O)C[C@@H]3[C@@H]2CC[C@]4([C@H]3C[C@H]([C@@H]4OC(=O)C)OC(=O)C)C |
| InChi: | InChI=1S/C24H28O7/c1-12(25)29-15-5-6-16-17-7-8-24(4)20(18(17)10-21(28)19(16)9-15)11-22(30-13(2)26)23(24)31-14(3)27/h5-6,9,17-18,20,22-23H,7-8,10-11H2,1-4H3/t17-,18-,20+,22-,23+,24+/m1/s1 |
| InChiKey: | InChIKey=YKXHUDXDHCUGIF-STZDCXSUSA-N |
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