basic_info |
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Product_Name: | 4-HYDROXYESTRONE-3-METHYL ETHER |
CAS: | 5976-62-5 |
EnglishSynonyms: | 4-HYDROXYESTRONE-3-METHYL ETHER |
pro_mdlNumber: | MFCD00199042 |
pro_acceptors: | 3 |
pro_donors: | 1 |
pro_smile: | C[C@]12CC[C@@H]3c4ccc(c(c4CC[C@H]3[C@@H]1CCC2=O)O)OC |
InChi: | InChI=1S/C19H24O3/c1-19-10-9-12-11-5-7-16(22-2)18(21)14(11)4-3-13(12)15(19)6-8-17(19)20/h5,7,12-13,15,21H,3-4,6,8-10H2,1-2H3/t12-,13-,15+,19+/m1/s1 |
InChiKey: | InChIKey=XITPEPUPAYFVDV-BFDPJXHCSA-N |
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