basic_info |
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Product_Name: | GRANATIN B |
CAS: | 77322-54-4 |
EnglishSynonyms: | GRANATIN B |
pro_mdlNumber: | MFCD07787413 |
pro_acceptors: | 27 |
pro_donors: | 14 |
pro_smile: | c1c(cc(c(c1O)O)O)C(=O)O[C@H]2[C@H]3[C@@H]4[C@@H]([C@H](O2)COC(=O)c5cc(c(c(c5-c6c(cc(c(c6O)O)O)C(=O)O4)O)O)O)OC(=O)c7cc(c(c8c7C9C(=CC(=O)C(C9(O8)O)(O)O)C(=O)O3)O)O |
InChi: | InChI=1S/C41H28O27/c42-13-1-8(2-14(43)24(13)48)34(54)67-39-33-32-30(64-37(57)11-5-17(46)27(51)31-22(11)23-12(38(58)66-33)6-19(47)40(59,60)41(23,61)68-31)18(63-39)7-62-35(55)9-3-15(44)25(49)28(52)20(9)21-10(36(56)65-32)4-16(45)26(50)29(21)53/h1-6,18,23,30,32-33,39,42-46,48-53,59-61H,7H2/t18-,23?,30-,32+,33-,39+,41?/m1/s1 |
InChiKey: | InChIKey=FFNTWLBZRJZJEJ-PYGBXMOSSA-N |
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