basic_info |
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Product_Name: | SOFALCONE |
CAS: | 64506-49-6 |
EnglishSynonyms: | SOFALCONE ; 2'-ETHOXYCARBONYLMETHOXY-4'-(3-METHYL-2-BUTENYL-OXY)ACETOPHENONE |
pro_mdlNumber: | MFCD00868207 |
pro_acceptors: | 6 |
pro_donors: | 1 |
pro_smile: | CC(=CCOc1ccc(cc1)/C=C/C(=O)c2ccc(cc2OCC(=O)O)OCC=C(C)C)C |
InChi: | InChI=1S/C27H30O6/c1-19(2)13-15-31-22-8-5-21(6-9-22)7-12-25(28)24-11-10-23(32-16-14-20(3)4)17-26(24)33-18-27(29)30/h5-14,17H,15-16,18H2,1-4H3,(H,29,30)/b12-7+ |
InChiKey: | InChIKey=GFWRVVCDTLRWPK-KPKJPENVSA-N |
property |
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Specification: | JP |
secure_info |
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