5978 -OEChem-05142406222D 116124 0 1 0 0 0 0 0999 V2000 6.8102 -4.6227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0777 -2.6680 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8208 -3.3371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6130 -4.3152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1574 -1.7535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1801 1.8223 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0974 -5.7817 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5287 0.5093 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2439 0.5543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1930 5.7695 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3838 -2.3940 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 7.4632 -1.3934 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8864 5.0410 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.6681 1.8859 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9235 -1.8937 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2980 -2.5883 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.5869 -3.4773 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8378 -2.0880 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1266 -2.9770 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5384 -0.8581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5012 -3.6716 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2601 -0.3101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0949 -1.5050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8959 -4.4284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9614 -4.1719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1744 -0.5045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7583 -3.0886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0472 -3.9776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8698 -3.6462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9713 0.5788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2268 -5.1715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7998 0.1902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4143 -1.0844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5967 1.2735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5110 1.0791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2877 2.2245 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1192 -5.5738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2388 2.5336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3605 2.5991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7687 3.3816 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9131 1.2974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4501 -6.3169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5640 -4.0063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6440 3.9029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6295 4.3719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8910 3.4821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6631 4.9214 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.8080 5.4752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0990 4.4602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8870 5.0759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9125 3.3069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1583 1.6144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7750 2.3224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6625 4.8865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1059 3.9562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8214 1.9189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1924 5.7346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6676 0.6694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1432 3.5749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.5494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0354 -1.7800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6692 -2.2648 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1147 -0.6294 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2972 -0.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1076 -3.8006 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8617 -0.9306 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5125 -1.7176 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2776 -4.9169 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4433 -4.1373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1530 -4.7616 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3766 -2.6001 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2109 -3.3797 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6323 -4.4384 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3648 0.7078 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4925 -2.2072 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7660 -4.7566 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8119 -5.6323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6875 -5.5864 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4063 0.0613 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5432 -0.4779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2532 1.9137 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8367 2.3696 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6001 3.2049 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9894 -5.9020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0352 -6.7776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9108 -6.7318 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1491 -4.4670 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0247 -4.4211 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9788 -3.5455 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8576 3.3208 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2554 4.0056 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2424 4.2784 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8948 4.9322 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3572 1.3495 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2351 5.9246 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4449 5.9778 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8734 5.0378 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4810 4.4098 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0854 5.6633 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3812 5.4345 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0294 1.0079 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7647 1.4855 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2872 2.2208 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5336 4.2801 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2373 4.6543 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9019 6.3169 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1988 4.5692 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7427 1.3040 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7182 5.4060 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5209 6.2604 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6666 6.0631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7538 0.0554 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2815 0.7557 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5813 1.2834 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6558 3.9581 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4262 2.3144 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21 1 1 6 0 0 0 1 37 1 0 0 0 0 19 2 1 6 0 0 0 2 75 1 0 0 0 0 3 29 1 0 0 0 0 3 43 1 0 0 0 0 4 29 2 0 0 0 0 5 33 2 0 0 0 0 6 35 1 0 0 0 0 6 52 1 0 0 0 0 7 37 2 0 0 0 0 8 41 1 0 0 0 0 8 58 1 0 0 0 0 9 41 2 0 0 0 0 47 10 1 1 0 0 0 10106 1 0 0 0 0 11 16 1 0 0 0 0 11 23 1 0 0 0 0 11 27 1 0 0 0 0 12 18 1 0 0 0 0 12 26 1 0 0 0 0 12 33 1 0 0 0 0 13 45 1 0 0 0 0 13 48 1 0 0 0 0 13 50 1 0 0 0 0 14 39 1 0 0 0 0 14 53 1 0 0 0 0 14 94 1 0 0 0 0 15 16 1 0 0 0 0 15 18 1 0 0 0 0 15 20 1 6 0 0 0 15 22 1 0 0 0 0 16 17 1 0 0 0 0 16 61 1 1 0 0 0 17 21 1 0 0 0 0 17 24 1 1 0 0 0 17 25 1 0 0 0 0 18 19 1 0 0 0 0 18 62 1 6 0 0 0 19 21 1 0 0 0 0 19 29 1 0 0 0 0 20 23 1 0 0 0 0 20 63 1 0 0 0 0 20 64 1 0 0 0 0 21 65 1 0 0 0 0 22 26 1 0 0 0 0 22 30 2 0 0 0 0 23 66 1 0 0 0 0 23 67 1 0 0 0 0 24 31 1 0 0 0 0 24 68 1 0 0 0 0 24 69 1 0 0 0 0 25 28 2 0 0 0 0 25 70 1 0 0 0 0 26 32 2 0 0 0 0 27 28 1 0 0 0 0 27 71 1 0 0 0 0 27 72 1 0 0 0 0 28 73 1 0 0 0 0 30 34 1 0 0 0 0 30 74 1 0 0 0 0 31 76 1 0 0 0 0 31 77 1 0 0 0 0 31 78 1 0 0 0 0 32 35 1 0 0 0 0 32 79 1 0 0 0 0 33 80 1 0 0 0 0 34 35 2 0 0 0 0 34 36 1 0 0 0 0 36 38 1 0 0 0 0 36 39 1 0 0 0 0 36 41 1 1 0 0 0 37 42 1 0 0 0 0 38 40 1 0 0 0 0 38 81 1 0 0 0 0 38 82 1 0 0 0 0 39 46 2 0 0 0 0 40 44 1 0 0 0 0 40 45 1 0 0 0 0 40 83 1 1 0 0 0 42 84 1 0 0 0 0 42 85 1 0 0 0 0 42 86 1 0 0 0 0 43 87 1 0 0 0 0 43 88 1 0 0 0 0 43 89 1 0 0 0 0 44 47 1 0 0 0 0 44 90 1 0 0 0 0 44 91 1 0 0 0 0 45 92 1 0 0 0 0 45 93 1 0 0 0 0 46 49 1 0 0 0 0 46 51 1 0 0 0 0 47 48 1 0 0 0 0 47 54 1 0 0 0 0 48 95 1 0 0 0 0 48 96 1 0 0 0 0 49 50 1 0 0 0 0 49 97 1 0 0 0 0 49 98 1 0 0 0 0 50 99 1 0 0 0 0 50100 1 0 0 0 0 51 53 1 0 0 0 0 51 55 2 0 0 0 0 52101 1 0 0 0 0 52102 1 0 0 0 0 52103 1 0 0 0 0 53 56 2 0 0 0 0 54 57 1 0 0 0 0 54104 1 0 0 0 0 54105 1 0 0 0 0 55 59 1 0 0 0 0 55107 1 0 0 0 0 56 60 1 0 0 0 0 56108 1 0 0 0 0 57109 1 0 0 0 0 57110 1 0 0 0 0 57111 1 0 0 0 0 58112 1 0 0 0 0 58113 1 0 0 0 0 58114 1 0 0 0 0 59 60 2 0 0 0 0 59115 1 0 0 0 0 60116 1 0 0 0 0 M END > 5978 > 1 > 1750 > 12 > 3 > 10 > AAADcfB/vAAAAAAAAAAAAAAAAAAAAWLFgAA8YMECAAAAAFiB9AAAHgAQCAAAD3zhngYyzvPJlgCoAyTy3AKCiCAhIiAImSF+bJgPJv7E9ZuGcChn9hnb6Af62fOfqAACAgAKAABQgAYECBSgAAAAAAAAAA== > methyl (1R,9R,10S,11R,12R,19R)-11-acetoxy-12-ethyl-4-[(13S,15S,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]-8-formyl-10-hydroxy-5-methoxy-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carboxylate > (1R,9R,10S,11R,12R,19R)-11-acetyloxy-12-ethyl-4-[(13S,15S,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]-8-formyl-10-hydroxy-5-methoxy-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carboxylic acid methyl ester > methyl (1R,9R,10S,11R,12R,19R)-11-acetyloxy-12-ethyl-4-[(13S,15S,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]-8-formyl-10-hydroxy-5-methoxy-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carboxylate > methyl (1R,9R,10S,11R,12R,19R)-11-acetyloxy-12-ethyl-4-[(13S,15S,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]-8-formyl-10-hydroxy-5-methoxy-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carboxylate > methyl (1R,9R,10S,11R,12R,19R)-11-acetyloxy-12-ethyl-4-[(13S,15S,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]-8-methanoyl-5-methoxy-10-oxidanyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carboxylate > (1R,9R,10S,11R,12R,19R)-11-acetoxy-4-[(13S,15S,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-8-formyl-10-hydroxy-5-methoxy-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carboxylic acid methyl ester > InChI=1S/C46H56N4O10/c1-7-42(55)22-28-23-45(40(53)58-5,36-30(14-18-48(24-28)25-42)29-12-9-10-13-33(29)47-36)32-20-31-34(21-35(32)57-4)50(26-51)38-44(31)16-19-49-17-11-15-43(8-2,37(44)49)39(60-27(3)52)46(38,56)41(54)59-6/h9-13,15,20-21,26,28,37-39,47,55-56H,7-8,14,16-19,22-25H2,1-6H3/t28-,37+,38-,39-,42+,43-,44-,45+,46+/m1/s1 > OGWKCGZFUXNPDA-XQKSVPLYSA-N > 2.8 > 824.39964400 > C46H56N4O10 > 825.0 > CCC1(CC2CC(C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)C78CCN9C7C(C=CC9)(C(C(C8N6C=O)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O > CC[C@@]1(C[C@@H]2C[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=O)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O > 171 > 824.39964400 > 0 > 60 > 9 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 21 1 6 47 10 5 14 39 8 14 53 8 15 20 6 16 61 5 17 24 5 18 62 6 19 2 6 22 26 8 22 30 8 26 32 8 30 34 8 32 35 8 34 35 8 36 41 5 39 46 8 40 83 5 46 51 8 51 53 8 51 55 8 53 56 8 55 59 8 56 60 8 59 60 8 $$$$