CDK 1029232200 52 54 0 0 0 0 0 0 0 0999 V2000 2.8579 -1.1344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8738 -0.2323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4693 0.0553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0185 -0.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2870 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4008 -0.5187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9763 0.7513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2870 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0014 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4290 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4619 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0014 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9171 -1.9364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0014 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1435 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7159 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0014 -2.4751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -1.3922 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1435 -2.4751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2870 -2.8876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7159 -2.8876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4290 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7846 -0.4882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3185 -2.4751 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -2.8876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7310 -3.1895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2870 -3.7126 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -2.4751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4290 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1435 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -2.4751 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4290 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -0.1915 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2235 0.0751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0014 -4.1251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1435 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4290 -2.8876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4784 -0.2261 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2486 0.8714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2870 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4290 1.2375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4290 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 5 8 1 0 0 0 0 5 9 1 0 0 0 0 6 10 1 0 0 0 0 6 11 1 0 0 0 0 8 12 1 0 0 0 0 8 13 1 0 0 0 0 8 14 1 0 0 0 0 9 15 1 0 0 0 0 10 16 1 0 0 0 0 11 17 1 0 0 0 0 11 18 1 0 0 0 0 13 19 1 0 0 0 0 13 20 1 0 0 0 0 16 21 1 0 0 0 0 16 22 1 0 0 0 0 17 23 1 0 0 0 0 17 24 1 0 0 0 0 20 25 1 0 0 0 0 20 26 1 0 0 0 0 21 27 1 0 0 0 0 22 28 1 0 0 0 0 23 29 1 0 0 0 0 24 30 1 0 0 0 0 24 31 1 0 0 0 0 24 32 1 0 0 0 0 25 33 2 3 0 0 0 25 34 1 0 0 0 0 27 35 1 0 0 0 0 27 36 1 0 0 0 0 28 37 1 0 0 0 0 28 38 1 0 0 0 0 29 39 1 0 0 0 0 29 40 1 0 0 0 0 33 41 1 0 0 0 0 34 42 1 0 0 0 0 35 43 1 0 0 0 0 37 44 1 0 0 0 0 39 45 1 0 0 0 0 40 46 1 0 0 0 0 40 47 1 0 0 0 0 45 48 1 0 0 0 0 45 49 1 0 0 0 0 47 50 1 0 0 0 0 50 51 1 0 0 0 0 50 52 1 0 0 0 0 28 35 1 0 0 0 0 31 34 1 0 0 0 0 47 48 1 0 0 0 0 M END > CHEBI:201822 > Roxithromycin Impurity C > 2 > (3R,4S,5S,6R,7R,9R,10Z,11S,12R,13S,14R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-7,12,13-trihydroxy-10-hydroxyimino-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecan-2-one > C37H68N2O13 > 748.952 > 748.47214 > 0 > O=C1OC(C(O)(C(O)C(C(=NO)C(C)CC(C(C(C(C1C)OC2OC(C(O)C(C2)(OC)C)C)C)OC3OC(CC(C3O)N(C)C)C)(O)C)C)C)CC > InChI=1S/C37H68N2O13/c1-14-25-37(10,45)30(41)20(4)27(38-46)18(2)16-35(8,44)32(52-34-28(40)24(39(11)12)15-19(3)48-34)21(5)29(22(6)33(43)50-25)51-26-17-36(9,47-13)31(42)23(7)49-26/h18-26,28-32,34,40-42,44-46H,14-17H2,1-13H3 > KYTWXIARANQMCA-UHFFFAOYSA-N $$$$