乙莫环素

pro_cas
15590-00-8
pro_cdbregno
CCD00177381
pro_formula
C50 H60 N6 O16
pro_molWeight
1001.05

basic_info

Product_Name: 乙莫环素
CAS: 15590-00-8
中文同义词: 乙莫环素
EnglishSynonyms: ETAMOCYCLINE
pro_mdlNumber: MFCD00869110
pro_acceptors: 22
pro_donors: 12
pro_smile: C[C@@]1(c2cccc(c2C(=O)C3=C([C@@]4([C@H](C[C@H]31)[C@H](C(=C(C4=O)C(=O)NCN(C)CCN(C)CNC(=O)C5=C([C@H]([C@@H]6C[C@H]7C(=C([C@@]6(C5=O)O)O)C(=O)c8c(cccc8O)[C@@]7(C)O)N(C)C)O)O)N(C)C)O)O)O)O
InChi: InChI=1S/C50H60N6O16/c1-47(69)21-11-9-13-27(57)29(21)37(59)31-23(47)17-25-35(53(3)4)39(61)33(43(65)49(25,71)41(31)63)45(67)51-19-55(7)15-16-56(8)20-52-46(68)34-40(62)36(54(5)6)26-18-24-32(42(64)50(26,72)44(34)66)38(60)30-22(48(24,2)70)12-10-14-28(30)58/h9-14,23-26,35-36,57-58,61-64,69-72H,15-20H2,1-8H3,(H,51,67)(H,52,68)/t23-,24+,25-,26+,35-,36+,47+,48-,49-,50+
InChiKey: InChIKey=BZUKDLNEDCDORL-ZRXLHLKWSA-N

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