basic_info |
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Product_Name: | SIGNEMYCIN |
CAS: | 8017-78-5 |
EnglishSynonyms: | SIGNEMYCIN |
pro_mdlNumber: | MFCD01742953 |
pro_acceptors: | 16 |
pro_donors: | 0 |
pro_smile: | C[C@@H]1C[C@@H]([C@H]([C@@H](O1)O[C@H]2[C@H](C[C@@]3(CO3)C(=O)[C@@H]([C@H]([C@H]([C@H](OC(=O)[C@@H]([C@H]([C@@H]2C)O[C@H]4C[C@@H]([C@H]([C@@H](O4)C)OC(=O)C)OC)C)C)C)OC(=O)C)C)C)OC(=O)C)N(C)C.C[C@]1(c2cccc(c2C(=O)C3=C([C@]4([C@@H](C[C@@H]31)[C@@H](C(=C(C4=O)C(=O)N)O)N(C)C)O)O)O)O.Cl |
InChi: | InChI=1S/C41H67NO15.C22H24N2O8.ClH/c1-19-17-41(18-49-41)38(46)23(5)34(53-27(9)43)21(3)25(7)52-39(47)24(6)35(56-32-16-31(48-14)36(26(8)51-32)54-28(10)44)22(4)33(19)57-40-37(55-29(11)45)30(42(12)13)15-20(2)50-40;1-21(31)8-5-4-6-11(25)12(8)16(26)13-9(21)7-10-15(24(2)3)17(27)14(20(23)30)19(29)22(10,32)18(13)28;/h19-26,30-37,40H,15-18H2,1-14H3;4-6,9-10,15,25,27-28,31-32H,7H2,1-3H3,(H2,23,30);1H/t19-,20+,21-,22+,23+,24+,25+,26-,30-,31-,32-,33-,34-,35-,36-,37+,40-,41+;9-,10-,15-,21+,22-;/m00./s1 |
InChiKey: | InChIKey=YQPHXRISEWKBGJ-BPLSWDSYSA-N |
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