70680578 -OEChem-04252423232D 94 98 0 1 0 0 0 0 0999 V2000 6.5691 -0.1010 0.0000 Mg 0 2 0 0 0 0 0 0 0 0 0 0 7.9191 -4.4180 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1985 -3.5477 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4041 -1.8279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5016 3.3913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9136 -0.5387 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0475 -2.0387 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0035 -0.0992 0.0000 N 0 5 0 0 0 0 0 0 0 0 0 0 5.1763 -0.0992 0.0000 N 0 5 0 0 0 0 0 0 0 0 0 0 6.5908 -1.3875 0.0000 N 0 5 0 0 0 0 0 0 0 0 0 0 6.5594 1.1892 0.0000 N 0 5 0 0 0 0 0 0 0 0 0 0 8.5690 -0.7906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4495 -0.5387 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5375 0.6552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4495 0.4031 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3453 -1.9531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2872 -1.7011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6424 -0.8222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6424 0.6238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.5701 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7320 0.3717 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8362 -1.9846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3453 1.8177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8049 1.7862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0618 -2.8635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8119 -2.5098 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.9259 -1.7011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2556 1.5341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1198 -2.8635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8945 1.5341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3155 -1.0387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8485 -3.4205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0303 2.6966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0883 2.6966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.0701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2452 1.0087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9362 0.9772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5312 -3.6719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1815 -0.5387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8048 -2.6285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6059 3.5143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.5701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4955 3.5019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0475 -1.0387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8966 4.4180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1914 -3.6664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7796 -1.0387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6456 -0.5387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5116 -1.0388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3777 -0.5388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3737 -1.1540 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3321 1.0119 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8104 -1.1851 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8492 0.9806 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1397 -1.9835 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4702 -2.1216 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6722 1.9933 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4597 1.9762 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9169 -1.5136 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7140 -1.5136 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 -1.5450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 -1.5450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6207 0.5153 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7386 1.3842 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8698 1.5021 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3116 1.4706 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4428 1.3526 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5608 0.4838 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0299 -3.3070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1662 -4.1731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0324 -4.0368 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5800 -0.0638 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7830 -0.0637 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1129 3.1574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9628 4.0213 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0989 3.8712 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -0.0331 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.2601 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -1.1070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4645 4.1693 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1452 4.9859 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3286 4.6666 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1178 -4.2821 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8070 -3.7400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2650 -3.0508 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3810 -1.5137 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1781 -1.5137 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0442 -0.0638 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2471 -0.0638 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1131 -1.5137 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9102 -1.5137 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6877 -1.0757 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9146 -0.2288 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0677 -0.0018 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 32 2 0 0 0 0 3 40 1 0 0 0 0 3 46 1 0 0 0 0 4 40 2 0 0 0 0 5 43 2 0 0 0 0 6 44 1 0 0 0 0 6 47 1 0 0 0 0 7 44 2 0 0 0 0 8 12 1 0 0 0 0 8 14 1 0 0 0 0 9 18 1 0 0 0 0 9 19 1 0 0 0 0 10 16 1 0 0 0 0 10 22 1 0 0 0 0 11 23 1 0 0 0 0 11 24 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 15 1 0 0 0 0 13 31 1 6 0 0 0 13 51 1 0 0 0 0 14 15 1 0 0 0 0 14 28 2 0 0 0 0 15 36 1 1 0 0 0 15 52 1 0 0 0 0 16 17 1 0 0 0 0 16 25 2 0 0 0 0 17 26 1 0 0 0 0 18 20 1 0 0 0 0 18 27 2 0 0 0 0 19 21 1 0 0 0 0 19 30 2 0 0 0 0 20 21 1 0 0 0 0 20 35 1 6 0 0 0 20 53 1 0 0 0 0 21 37 1 1 0 0 0 21 54 1 0 0 0 0 22 27 1 0 0 0 0 22 29 2 0 0 0 0 23 28 1 0 0 0 0 23 33 2 0 0 0 0 24 30 1 0 0 0 0 24 34 2 0 0 0 0 25 29 1 0 0 0 0 25 32 1 0 0 0 0 26 32 1 0 0 0 0 26 40 1 1 0 0 0 26 55 1 0 0 0 0 27 56 1 0 0 0 0 28 57 1 0 0 0 0 29 38 1 0 0 0 0 30 58 1 0 0 0 0 31 39 1 0 0 0 0 31 59 1 0 0 0 0 31 60 1 0 0 0 0 33 34 1 0 0 0 0 33 41 1 0 0 0 0 34 43 1 0 0 0 0 35 42 1 0 0 0 0 35 61 1 0 0 0 0 35 62 1 0 0 0 0 36 63 1 0 0 0 0 36 64 1 0 0 0 0 36 65 1 0 0 0 0 37 66 1 0 0 0 0 37 67 1 0 0 0 0 37 68 1 0 0 0 0 38 69 1 0 0 0 0 38 70 1 0 0 0 0 38 71 1 0 0 0 0 39 44 1 0 0 0 0 39 72 1 0 0 0 0 39 73 1 0 0 0 0 41 74 1 0 0 0 0 41 75 1 0 0 0 0 41 76 1 0 0 0 0 42 77 1 0 0 0 0 42 78 1 0 0 0 0 42 79 1 0 0 0 0 43 45 1 0 0 0 0 45 80 1 0 0 0 0 45 81 1 0 0 0 0 45 82 1 0 0 0 0 46 83 1 0 0 0 0 46 84 1 0 0 0 0 46 85 1 0 0 0 0 47 48 1 0 0 0 0 47 86 1 0 0 0 0 47 87 1 0 0 0 0 48 49 1 0 0 0 0 48 88 1 0 0 0 0 48 89 1 0 0 0 0 49 50 1 0 0 0 0 49 90 1 0 0 0 0 49 91 1 0 0 0 0 50 92 1 0 0 0 0 50 93 1 0 0 0 0 50 94 1 0 0 0 0 M CHG 5 1 2 8 -1 9 -1 10 -1 11 -1 M END > 70680578 > 1 > 1500 > 10 > 0 > 11 > AAADcfB/uAAAACAAAAAAAAAAAAAAAeLFixAgQIEAAAAWAECB4AAAHgAAAAAADQyhngICiJIIFACoA6TyTACCgCAlAiAAmCEwRNgIIH7IlZGGAYhk4ADIyUe82fOegAAAAAAAAAAAAAAAAAAAASAAAQAAAA== > magnesium;methyl (1Z,3R,9Z,11R,12R,13Z,19Z,21S,22S)-16-acetyl-22-(3-butoxy-3-oxo-propyl)-11-ethyl-12,17,21,26-tetramethyl-4-oxo-7,23,24,25-tetrazanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,5,8(26),9,13,15,17,19-octaene-3-carboxylate > magnesium;(1Z,3R,9Z,11R,12R,13Z,19Z,21S,22S)-16-acetyl-22-(3-butoxy-3-oxopropyl)-11-ethyl-12,17,21,26-tetramethyl-4-oxo-7,23,24,25-tetrazanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,5,8(26),9,13,15,17,19-octaene-3-carboxylic acid methyl ester > magnesium;methyl (1Z,3R,9Z,11R,12R,13Z,19Z,21S,22S)-16-acetyl-22-(3-butoxy-3-oxopropyl)-11-ethyl-12,17,21,26-tetramethyl-4-oxo-7,23,24,25-tetrazanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,5,8(26),9,13,15,17,19-octaene-3-carboxylate > magnesium;methyl (1Z,3R,9Z,11R,12R,13Z,19Z,21S,22S)-16-acetyl-22-(3-butoxy-3-oxopropyl)-11-ethyl-12,17,21,26-tetramethyl-4-oxo-7,23,24,25-tetrazanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,5,8(26),9,13,15,17,19-octaene-3-carboxylate > magnesium;methyl (1Z,3R,9Z,11R,12R,13Z,19Z,21S,22S)-22-(3-butoxy-3-oxidanylidene-propyl)-16-ethanoyl-11-ethyl-12,17,21,26-tetramethyl-4-oxidanylidene-7,23,24,25-tetrazanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,5,8(26),9,13,15,17,19-octaene-3-carboxylate > magnesium;(1Z,3R,9Z,11R,12R,13Z,19Z,21S,22S)-16-acetyl-22-(3-butoxy-3-keto-propyl)-11-ethyl-4-keto-12,17,21,26-tetramethyl-7,23,24,25-tetrazanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,5,8(26),9,13,15,17,19-octaene-3-carboxylic acid methyl ester > InChI=1S/C39H46N4O6.Mg/c1-9-11-14-49-31(45)13-12-24-19(4)26-15-27-20(5)32(22(7)44)30(41-27)17-25-18(3)23(10-2)29(40-25)16-28-21(6)33-37(43-28)34(36(24)42-26)35(38(33)46)39(47)48-8;/h15-19,23-24,35H,9-14H2,1-8H3,(H2-2,40,41,42,43,44,46);/q-2;+2/p-2/b26-15-,29-16-;/t18-,19+,23-,24+,35-;/m1./s1 > DIHQGLJUIDSTQJ-BICKCKTKSA-L > 688.3111268 > C39H44MgN4O6-2 > 689.1 > CCCCOC(=O)CCC1C(C2=CC3=C(C(=C([N-]3)C=C4C(C(C(=CC5=C(C6=C([N-]5)C(=C1[N-]2)C(C6=O)C(=O)OC)C)[N-]4)CC)C)C(=O)C)C)C.[Mg+2] > CCCCOC(=O)CC[C@H]\1[C@@H](/C/2=C/C3=C(C(=C([N-]3)/C=C\4/[C@@H]([C@H](/C(=C/C5=C(C6=C([N-]5)/C(=C1\[N-]2)/[C@H](C6=O)C(=O)OC)C)/[N-]4)CC)C)C(=O)C)C)C.[Mg+2] > 90.7 > 688.3111268 > -2 > 50 > 5 > 0 > 4 > 0 > 0 > 2 > -1 > 1 10 7 1 11 7 1 8 7 1 9 7 > 1 5 255 > 10 16 8 10 22 8 11 23 8 11 24 8 13 31 6 15 36 5 16 25 8 20 35 6 21 37 5 22 29 8 23 33 8 24 34 8 25 29 8 26 40 5 33 34 8 $$$$