8935 -OEChem-05102418262D 124131 0 1 0 0 0 0 0999 V2000 12.6667 6.6117 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.6514 4.2386 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3946 3.5694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7148 1.5407 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9131 2.3775 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9996 1.4958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7539 8.7288 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1025 7.4159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8176 7.4608 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7667 12.6760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5328 7.1117 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8007 6.1117 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1667 7.4778 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1667 5.7457 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9575 4.5126 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.0370 5.5131 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.2419 8.7924 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4601 11.9476 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.4972 5.0128 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.8718 4.3182 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.1607 3.4292 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4116 4.8185 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7004 3.9295 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0749 3.2349 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.1122 6.0485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8339 6.5964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6687 5.4015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4697 2.4782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7482 6.4021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5352 2.7346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3321 3.8179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6209 2.9290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4435 3.2604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3840 2.2839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5450 7.4854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9880 5.8222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8005 1.7350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3736 7.0967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1705 8.1800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0848 7.9857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8614 9.1311 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8125 9.4401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9343 9.5057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3424 10.2882 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.4868 8.2039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1377 2.9003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0239 0.5897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2177 10.8094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2032 11.2784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4648 10.3886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2368 11.8280 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3817 12.3817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6727 11.3668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7320 8.5209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4607 11.9825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4863 10.2135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3488 9.2290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2362 11.7931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6797 10.8628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3951 8.8255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2413 7.5760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7057 10.9101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7170 10.4815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5738 9.4560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6091 5.1266 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2430 4.6418 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6814 3.1060 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6884 6.2772 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8710 6.6196 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4355 5.9760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0862 5.1890 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8514 1.9896 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0171 2.7693 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7268 2.1450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9504 4.3065 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7846 3.5269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2061 2.4682 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9386 7.6143 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0663 4.6993 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1796 5.2325 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5777 6.0138 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7964 6.4118 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3398 2.1499 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3857 1.2743 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2613 1.3202 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9800 6.9678 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8269 8.8203 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4104 9.2762 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7761 9.8451 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7229 2.4396 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5985 2.4854 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5526 3.3610 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4342 0.3981 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2154 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6135 0.7812 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4314 10.2274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8291 10.9122 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8162 11.1850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4685 11.8388 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9309 8.2560 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8088 12.8311 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0187 12.8843 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4472 11.9443 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0548 11.3164 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6031 7.9145 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3385 8.3920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8609 9.1274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6592 12.5698 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9549 12.3410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8259 11.9847 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1499 12.4070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4757 13.2235 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7725 11.4758 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3165 8.2105 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3276 6.9620 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8553 7.6622 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1550 8.1899 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1582 10.6191 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9968 10.3627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2531 11.2012 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2296 10.8647 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 9.2210 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0697 6.8017 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2638 6.4217 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 12 1 0 0 0 0 1 13 2 0 0 0 0 1 14 2 0 0 0 0 23 2 1 6 0 0 0 2 79 1 0 0 0 0 3 33 1 0 0 0 0 3 46 1 0 0 0 0 4 34 1 0 0 0 0 4 47 1 0 0 0 0 5 33 2 0 0 0 0 6 34 2 0 0 0 0 7 40 1 0 0 0 0 7 54 1 0 0 0 0 8 45 1 0 0 0 0 8 61 1 0 0 0 0 9 45 2 0 0 0 0 51 10 1 1 0 0 0 10112 1 0 0 0 0 11123 1 0 0 0 0 12124 1 0 0 0 0 15 20 1 0 0 0 0 15 27 1 0 0 0 0 15 31 1 0 0 0 0 16 22 1 0 0 0 0 16 29 1 0 0 0 0 16 36 1 0 0 0 0 17 43 1 0 0 0 0 17 57 1 0 0 0 0 17100 1 0 0 0 0 18 49 1 0 0 0 0 18 52 1 0 0 0 0 18 55 1 0 0 0 0 19 20 1 0 0 0 0 19 22 1 0 0 0 0 19 25 1 6 0 0 0 19 26 1 0 0 0 0 20 21 1 0 0 0 0 20 65 1 1 0 0 0 21 24 1 0 0 0 0 21 28 1 1 0 0 0 21 30 1 0 0 0 0 22 23 1 0 0 0 0 22 66 1 6 0 0 0 23 24 1 0 0 0 0 23 33 1 0 0 0 0 24 34 1 6 0 0 0 24 67 1 0 0 0 0 25 27 1 0 0 0 0 25 68 1 0 0 0 0 25 69 1 0 0 0 0 26 29 1 0 0 0 0 26 35 2 0 0 0 0 27 70 1 0 0 0 0 27 71 1 0 0 0 0 28 37 1 0 0 0 0 28 72 1 0 0 0 0 28 73 1 0 0 0 0 29 38 2 0 0 0 0 30 32 2 0 0 0 0 30 74 1 0 0 0 0 31 32 1 0 0 0 0 31 75 1 0 0 0 0 31 76 1 0 0 0 0 32 77 1 0 0 0 0 35 39 1 0 0 0 0 35 78 1 0 0 0 0 36 80 1 0 0 0 0 36 81 1 0 0 0 0 36 82 1 0 0 0 0 37 83 1 0 0 0 0 37 84 1 0 0 0 0 37 85 1 0 0 0 0 38 40 1 0 0 0 0 38 86 1 0 0 0 0 39 40 2 0 0 0 0 39 41 1 0 0 0 0 41 42 1 0 0 0 0 41 43 1 0 0 0 0 41 45 1 1 0 0 0 42 44 1 0 0 0 0 42 87 1 0 0 0 0 42 88 1 0 0 0 0 43 50 2 0 0 0 0 44 48 1 0 0 0 0 44 49 1 0 0 0 0 44 89 1 0 0 0 0 46 90 1 0 0 0 0 46 91 1 0 0 0 0 46 92 1 0 0 0 0 47 93 1 0 0 0 0 47 94 1 0 0 0 0 47 95 1 0 0 0 0 48 51 1 0 0 0 0 48 96 1 0 0 0 0 48 97 1 0 0 0 0 49 98 1 0 0 0 0 49 99 1 0 0 0 0 50 53 1 0 0 0 0 50 56 1 0 0 0 0 51 52 1 0 0 0 0 51 58 1 0 0 0 0 52101 1 0 0 0 0 52102 1 0 0 0 0 53 55 1 0 0 0 0 53103 1 0 0 0 0 53104 1 0 0 0 0 54105 1 0 0 0 0 54106 1 0 0 0 0 54107 1 0 0 0 0 55108 1 0 0 0 0 55109 1 0 0 0 0 56 57 1 0 0 0 0 56 59 2 0 0 0 0 57 60 2 0 0 0 0 58 62 1 0 0 0 0 58110 1 0 0 0 0 58111 1 0 0 0 0 59 63 1 0 0 0 0 59113 1 0 0 0 0 60 64 1 0 0 0 0 60114 1 0 0 0 0 61115 1 0 0 0 0 61116 1 0 0 0 0 61117 1 0 0 0 0 62118 1 0 0 0 0 62119 1 0 0 0 0 62120 1 0 0 0 0 63 64 2 0 0 0 0 63121 1 0 0 0 0 64122 1 0 0 0 0 M END > 8935 > 1 > 1780 > 16 > 5 > 10 > AAADcfB/vABAAAAAAAAAAAAAAAAAAWLFgAA8YMECAAAAAFiB9AAAHgAQCAAAD2zBngYyzvPJloCoAyTyTDKCiCAhIiAImSF+bJgPJv7E9ZuEcChn8Bnb6Af/2fOfqAACAgAKAADQgAaECDQgAAAAAAAAAA== > dimethyl (1R,9R,10R,11R,12S,19S)-12-ethyl-4-[(13S,17S)-17-ethyl-17-hydroxy-13-methoxycarbonyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-13-yl]-10-hydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10,11-dicarboxylate;sulfuric acid > (1R,9R,10R,11R,12S,19S)-12-ethyl-4-[(13S,17S)-17-ethyl-17-hydroxy-13-methoxycarbonyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-13-yl]-10-hydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10,11-dicarboxylic acid dimethyl ester;sulfuric acid > dimethyl (1R,9R,10R,11R,12S,19S)-12-ethyl-4-[(13S,17S)-17-ethyl-17-hydroxy-13-methoxycarbonyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-13-yl]-10-hydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10,11-dicarboxylate;sulfuric acid > dimethyl (1R,9R,10R,11R,12S,19S)-12-ethyl-4-[(13S,17S)-17-ethyl-17-hydroxy-13-methoxycarbonyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-13-yl]-10-hydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10,11-dicarboxylate;sulfuric acid > dimethyl (1R,9R,10R,11R,12S,19S)-12-ethyl-4-[(13S,17S)-17-ethyl-13-methoxycarbonyl-17-oxidanyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-13-yl]-5-methoxy-8-methyl-10-oxidanyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10,11-dicarboxylate;sulfuric acid > (1R,9R,10R,11R,12S,19S)-4-[(13S,17S)-13-carbomethoxy-17-ethyl-17-hydroxy-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-13-yl]-12-ethyl-10-hydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10,11-dicarboxylic acid dimethyl ester;sulfuric acid > InChI=1S/C46H58N4O9.H2O4S/c1-8-42(54)23-27-24-45(40(52)58-6,36-29(15-19-49(25-27)26-42)28-13-10-11-14-32(28)47-36)31-21-30-33(22-34(31)56-4)48(3)39-44(30)17-20-50-18-12-16-43(9-2,38(44)50)35(37(51)57-5)46(39,55)41(53)59-7;1-5(2,3)4/h10-14,16,21-22,27,35,38-39,47,54-55H,8-9,15,17-20,23-26H2,1-7H3;(H2,1,2,3,4)/t27?,35-,38+,39-,42+,43+,44-,45+,46-;/m1./s1 > PQRHLAKBRMUOGG-BAMZTYORSA-N > 4.711 > 908.38775915 > C46H60N4O13S > 909.1 > CCC1(CC2CC(C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)C78CCN9C7C(C=CC9)(C(C(C8N6C)(C(=O)OC)O)C(=O)OC)CC)OC)C(=O)OC)O.OS(=O)(=O)O > CC[C@@]1(CC2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)C(=O)OC)CC)OC)C(=O)OC)O.OS(=O)(=O)O > 237 > 908.38775915 > 0 > 64 > 8 > 1 > 0 > 0 > 0 > 2 > -1 > 1 5 255 > 51 10 5 17 43 8 17 57 8 19 25 6 23 2 6 20 65 5 21 28 5 22 66 6 24 34 6 26 29 8 26 35 8 29 38 8 35 39 8 38 40 8 39 40 8 41 45 5 43 50 8 44 48 3 50 56 8 56 57 8 56 59 8 57 60 8 59 63 8 60 64 8 63 64 8 $$$$