73603994 -OEChem-04162412372D 94103 0 1 0 0 0 0 0999 V2000 9.2009 4.2462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8109 6.1859 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9776 5.5123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8183 1.1629 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9981 -4.5153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1047 -2.7866 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3179 1.9186 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.6028 5.7462 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3474 -3.9158 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.6482 -2.1273 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6028 3.7462 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8120 2.7744 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.4688 4.2462 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.8007 2.6714 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.2059 3.5791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7021 3.3396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5799 2.2398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7368 4.2462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7493 1.0439 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2522 1.8068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4688 5.2462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7953 2.5677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3349 4.7462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7230 0.9876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9978 -3.0216 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7368 5.2462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4144 -3.8583 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1970 0.2103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8982 -4.6374 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.8428 3.7116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0974 -1.4056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6460 -2.1268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0648 -2.9640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8637 -3.1366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6136 -0.6264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9652 -4.5799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1644 -1.3481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5486 -3.7432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8428 5.7809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2640 0.2678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2029 1.6545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7640 -4.7525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3148 -5.4742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9368 4.2254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7478 -0.5114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3458 -5.4711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9368 5.2670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2478 -5.5317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0669 4.7462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5504 -3.6817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7916 -6.3662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.4538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9666 2.8625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7424 3.2684 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5713 4.0800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5513 3.9410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0836 3.2978 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9736 2.3694 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3905 1.6494 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1297 0.2838 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8716 1.7782 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1594 3.0696 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0036 0.4348 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8839 -3.1497 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6028 6.3662 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0313 -1.6411 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1520 -1.7522 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8500 3.0916 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3679 -3.4972 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2421 -2.6455 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2325 -0.6646 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3707 -4.7557 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0351 -5.1960 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8500 6.4008 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8389 1.1526 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8195 1.5902 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0293 -2.0892 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2136 -5.1795 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2626 -4.3839 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9724 -5.9910 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4010 3.9133 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1289 -0.4733 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7270 -5.4329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5242 -6.0867 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4010 5.5791 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3769 4.2093 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6039 5.0562 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7569 5.2832 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1994 1.2011 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4491 -6.8831 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4104 -6.4044 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0382 -3.8350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3812 -4.4156 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9618 -5.0726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 23 1 0 0 0 0 1 49 1 0 0 0 0 2 21 2 0 0 0 0 3 23 2 0 0 0 0 4 40 1 0 0 0 0 4 89 1 0 0 0 0 5 50 1 0 0 0 0 5 52 1 0 0 0 0 6 50 2 0 0 0 0 7 12 1 0 0 0 0 7 17 1 0 0 0 0 7 19 1 0 0 0 0 8 21 1 0 0 0 0 8 26 1 0 0 0 0 8 65 1 0 0 0 0 9 27 1 0 0 0 0 9 34 1 0 0 0 0 9 42 1 0 0 0 0 10 33 1 0 0 0 0 10 37 1 0 0 0 0 10 77 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 16 1 6 0 0 0 11 18 1 0 0 0 0 12 14 1 0 0 0 0 12 53 1 1 0 0 0 13 15 1 0 0 0 0 13 21 1 0 0 0 0 13 23 1 6 0 0 0 14 15 1 0 0 0 0 14 20 1 0 0 0 0 14 22 1 1 0 0 0 15 54 1 0 0 0 0 15 55 1 0 0 0 0 16 17 1 0 0 0 0 16 56 1 0 0 0 0 16 57 1 0 0 0 0 17 58 1 0 0 0 0 17 59 1 0 0 0 0 18 26 1 0 0 0 0 18 30 2 0 0 0 0 19 24 1 0 0 0 0 19 28 1 0 0 0 0 19 60 1 6 0 0 0 20 24 2 0 0 0 0 20 61 1 0 0 0 0 22 41 2 0 0 0 0 22 62 1 0 0 0 0 24 63 1 0 0 0 0 25 27 1 0 0 0 0 25 31 1 0 0 0 0 25 32 1 1 0 0 0 25 33 1 0 0 0 0 26 39 2 0 0 0 0 27 29 1 0 0 0 0 27 64 1 6 0 0 0 28 35 2 0 0 0 0 28 40 1 0 0 0 0 29 36 1 0 0 0 0 29 43 1 0 0 0 0 29 46 1 6 0 0 0 30 44 1 0 0 0 0 30 68 1 0 0 0 0 31 35 1 0 0 0 0 31 37 2 0 0 0 0 32 34 1 0 0 0 0 32 66 1 0 0 0 0 32 67 1 0 0 0 0 33 38 2 0 0 0 0 34 69 1 0 0 0 0 34 70 1 0 0 0 0 35 71 1 0 0 0 0 36 38 1 0 0 0 0 36 72 1 0 0 0 0 36 73 1 0 0 0 0 37 45 1 0 0 0 0 38 50 1 0 0 0 0 39 47 1 0 0 0 0 39 74 1 0 0 0 0 40 45 2 0 0 0 0 41 75 1 0 0 0 0 41 76 1 0 0 0 0 42 48 1 0 0 0 0 42 78 1 0 0 0 0 42 79 1 0 0 0 0 43 48 2 0 0 0 0 43 80 1 0 0 0 0 44 47 2 0 0 0 0 44 81 1 0 0 0 0 45 82 1 0 0 0 0 46 51 2 0 0 0 0 46 83 1 0 0 0 0 47 85 1 0 0 0 0 48 84 1 0 0 0 0 49 86 1 0 0 0 0 49 87 1 0 0 0 0 49 88 1 0 0 0 0 51 90 1 0 0 0 0 51 91 1 0 0 0 0 52 92 1 0 0 0 0 52 93 1 0 0 0 0 52 94 1 0 0 0 0 M END > 73603994 > 1 > 1760 > 9 > 3 > 7 > AAADcfB/uAAAAAAAAAAAAAAAAAAAAeLFiAA8YIECAAAWAFixQAAAHgAQCAAADizBmAYyzoPABgCIAiXSWACCAAAhIgAIiAEObMgIJj7K8ZOEcAhm9BnI+Ue82fOfqAACAgAKAABQAAQEABQAASAACQAAAA== > methyl (1R,12S,19S)-5-hydroxy-4-[(1S,10R,12S,15S,19S)-10-methoxycarbonyl-9-oxo-12-vinyl-8,16-diazapentacyclo[10.6.1.01,10.02,7.016,19]nonadeca-2,4,6,13-tetraen-15-yl]-12-vinyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5,9,13-pentaene-10-carboxylate > (1R,12S,19S)-12-ethenyl-4-[(1S,10R,12S,15S,19S)-12-ethenyl-10-methoxycarbonyl-9-oxo-8,16-diazapentacyclo[10.6.1.01,10.02,7.016,19]nonadeca-2,4,6,13-tetraen-15-yl]-5-hydroxy-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5,9,13-pentaene-10-carboxylic acid methyl ester > methyl (1R,12S,19S)-12-ethenyl-4-[(1S,10R,12S,15S,19S)-12-ethenyl-10-methoxycarbonyl-9-oxo-8,16-diazapentacyclo[10.6.1.01,10.02,7.016,19]nonadeca-2,4,6,13-tetraen-15-yl]-5-hydroxy-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5,9,13-pentaene-10-carboxylate > methyl (1R,12S,19S)-12-ethenyl-4-[(1S,10R,12S,15S,19S)-12-ethenyl-10-methoxycarbonyl-9-oxo-8,16-diazapentacyclo[10.6.1.01,10.02,7.016,19]nonadeca-2,4,6,13-tetraen-15-yl]-5-hydroxy-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5,9,13-pentaene-10-carboxylate > methyl (1R,12S,19S)-12-ethenyl-4-[(1S,10R,12S,15S,19S)-12-ethenyl-10-methoxycarbonyl-9-oxidanylidene-8,16-diazapentacyclo[10.6.1.01,10.02,7.016,19]nonadeca-2,4,6,13-tetraen-15-yl]-5-oxidanyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5,9,13-pentaene-10-carboxylate > (1R,12S,19S)-4-[(1S,10R,12S,15S,19S)-10-carbomethoxy-9-keto-12-vinyl-8,16-diazapentacyclo[10.6.1.01,10.02,7.016,19]nonadeca-2,4,6,13-tetraen-15-yl]-5-hydroxy-12-vinyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5,9,13-pentaene-10-carboxylic acid methyl ester > InChI=1S/C42H42N4O6/c1-5-38-13-9-17-45-18-15-40(34(38)45)27-20-24(31(47)21-29(27)43-32(40)25(22-38)33(48)51-3)30-12-14-39(6-2)23-42(37(50)52-4)36(49)44-28-11-8-7-10-26(28)41(42)16-19-46(30)35(39)41/h5-14,20-21,30,34-35,43,47H,1-2,15-19,22-23H2,3-4H3,(H,44,49)/t30-,34-,35-,38-,39-,40-,41+,42+/m0/s1 > NFOYGUMOQYBPCO-HDKZSYFASA-N > 5.2 > 698.31043507 > C42H42N4O6 > 698.8 > COC(=O)C1=C2C3(CCN4C3C(C1)(C=CC4)C=C)C5=C(N2)C=C(C(=C5)C6C=CC7(CC8(C(=O)NC9=CC=CC=C9C81C7N6CC1)C(=O)OC)C=C)O > COC(=O)C1=C2[C@]3(CCN4[C@H]3[C@](C1)(C=CC4)C=C)C5=C(N2)C=C(C(=C5)[C@@H]6C=C[C@]7(C[C@@]8(C(=O)NC9=CC=CC=C9[C@]81[C@H]7N6CC1)C(=O)OC)C=C)O > 120 > 698.31043507 > 0 > 52 > 8 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 11 16 6 12 53 5 13 23 6 14 22 5 18 26 8 18 30 8 19 60 6 25 32 5 26 39 8 27 64 6 28 35 8 28 40 8 29 46 6 30 44 8 31 35 8 31 37 8 37 45 8 39 47 8 40 45 8 44 47 8 $$$$