basic_info |
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| Product_Name： | ETHYNYL ESTRADIOL 3-SULFATE |
| CAS： | 24560-70-1 |
| EnglishSynonyms： | ETHYNYL ESTRADIOL 3-SULFATE ; 17-ALPHA-ETHYNYL ESTRADIOL-3-SULFATE ; ETHYNYL ESTRADIOL SULFATE |
| pro_mdlNumber： | MFCD18252456 |
| pro_acceptors： | 5 |
| pro_donors： | 2 |
| pro_smile： | C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CC[C@]2(C#C)O)OS(=O)(=O)O |
| InChi： | InChI=1S/C20H24O5S/c1-3-20(21)11-9-18-17-6-4-13-12-14(25-26(22,23)24)5-7-15(13)16(17)8-10-19(18,20)2/h1,5,7,12,16-18,21H,4,6,8-11H2,2H3,(H,22,23,24)/t16-,17-,18+,19+,20+/m1/s1 |
| InChiKey： | InChIKey=WLGIWVFFGMPRLM-SLHNCBLASA-N |
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