73265388 -OEChem-05032416232D 111119 0 1 0 0 0 0 0999 V2000 6.7316 -4.8271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9991 -2.8724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7422 -3.5415 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5344 -4.5196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1015 1.6179 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0188 -5.9860 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2997 0.2905 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0237 0.4472 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3052 -2.5984 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 7.3846 -1.5978 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.5124 1.8920 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4141 4.6252 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.8449 -2.0981 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2195 -2.7927 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.5083 -3.6817 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7592 -2.2924 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0480 -3.1814 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4598 -1.0624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4226 -3.8760 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1815 -0.5145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0163 -1.7094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8173 -4.6327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0958 -0.7088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8828 -4.3763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6797 -3.2930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9686 -4.1820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7912 -3.8505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8927 0.3745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3357 -1.2888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7212 -0.0142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1482 -5.3759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5181 1.0691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4324 0.8748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2091 2.0202 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0406 -5.7781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1602 2.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3181 2.4742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7551 1.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6142 3.2202 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3715 -6.5213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4854 -4.2106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0091 3.4252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3051 4.1713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4631 4.3162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0797 1.4100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3434 3.9068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0150 3.4226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7086 2.4770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2064 5.2381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1450 4.8886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3334 4.2021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6994 2.2452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9054 5.5380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4482 0.3507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3191 3.9938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.0087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7232 6.5213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9568 -1.9843 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5906 -2.4691 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0361 -0.8338 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2186 -0.4913 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0290 -4.0049 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7831 -1.1349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4339 -1.9219 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1990 -5.1213 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3648 -4.3416 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0744 -4.9660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2980 -2.8044 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1323 -3.5841 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5537 -4.6427 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2862 0.5034 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4140 -2.4116 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5273 -1.8784 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9254 -1.0972 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1441 -0.6991 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3277 -0.1431 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6874 -4.9610 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7333 -5.8366 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6089 -5.7907 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1926 1.7100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7666 2.2003 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2942 2.7103 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9108 -6.1064 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9566 -6.9820 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8322 -6.9361 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0705 -4.6714 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9461 -4.6255 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9002 -3.7499 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9243 4.2037 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4340 4.7777 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1131 1.4176 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4306 4.9354 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8566 4.4451 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9508 0.8036 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6861 1.2811 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2086 2.0165 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9342 3.7188 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5261 5.7693 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7431 5.6502 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5313 4.7897 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5152 1.6532 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2201 5.0038 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4861 5.7551 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4806 -0.2685 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0673 0.3831 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4157 0.9698 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9056 4.4558 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3942 2.8770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3328 6.6342 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6102 7.1309 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1135 6.4083 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19 1 1 6 0 0 0 1 35 1 0 0 0 0 17 2 1 6 0 0 0 2 72 1 0 0 0 0 3 27 1 0 0 0 0 3 41 1 0 0 0 0 4 27 2 0 0 0 0 5 33 1 0 0 0 0 5 45 1 0 0 0 0 6 35 2 0 0 0 0 7 38 1 0 0 0 0 7 54 1 0 0 0 0 8 38 2 0 0 0 0 9 14 1 0 0 0 0 9 21 1 0 0 0 0 9 25 1 0 0 0 0 10 16 1 0 0 0 0 10 23 1 0 0 0 0 10 29 1 0 0 0 0 11 37 1 0 0 0 0 11 48 1 0 0 0 0 11 91 1 0 0 0 0 12 43 1 0 0 0 0 12 44 1 0 0 0 0 12 49 1 0 0 0 0 13 14 1 0 0 0 0 13 16 1 0 0 0 0 13 18 1 6 0 0 0 13 20 1 0 0 0 0 14 15 1 0 0 0 0 14 58 1 1 0 0 0 15 19 1 0 0 0 0 15 22 1 1 0 0 0 15 24 1 0 0 0 0 16 17 1 0 0 0 0 16 59 1 1 0 0 0 17 19 1 0 0 0 0 17 27 1 0 0 0 0 18 21 1 0 0 0 0 18 60 1 0 0 0 0 18 61 1 0 0 0 0 19 62 1 0 0 0 0 20 23 1 0 0 0 0 20 28 2 0 0 0 0 21 63 1 0 0 0 0 21 64 1 0 0 0 0 22 31 1 0 0 0 0 22 65 1 0 0 0 0 22 66 1 0 0 0 0 23 30 2 0 0 0 0 24 26 2 0 0 0 0 24 67 1 0 0 0 0 25 26 1 0 0 0 0 25 68 1 0 0 0 0 25 69 1 0 0 0 0 26 70 1 0 0 0 0 28 32 1 0 0 0 0 28 71 1 0 0 0 0 29 73 1 0 0 0 0 29 74 1 0 0 0 0 29 75 1 0 0 0 0 30 33 1 0 0 0 0 30 76 1 0 0 0 0 31 77 1 0 0 0 0 31 78 1 0 0 0 0 31 79 1 0 0 0 0 32 33 2 0 0 0 0 32 34 1 0 0 0 0 34 36 1 0 0 0 0 34 37 1 0 0 0 0 34 38 1 1 0 0 0 35 40 1 0 0 0 0 36 39 1 0 0 0 0 36 80 1 0 0 0 0 36 81 1 0 0 0 0 37 42 2 0 0 0 0 39 43 1 0 0 0 0 39 46 1 0 0 0 0 39 82 1 6 0 0 0 40 83 1 0 0 0 0 40 84 1 0 0 0 0 40 85 1 0 0 0 0 41 86 1 0 0 0 0 41 87 1 0 0 0 0 41 88 1 0 0 0 0 42 44 1 0 0 0 0 42 47 1 0 0 0 0 43 89 1 0 0 0 0 43 90 1 0 0 0 0 44 92 1 0 0 0 0 44 93 1 0 0 0 0 45 94 1 0 0 0 0 45 95 1 0 0 0 0 45 96 1 0 0 0 0 46 50 2 0 0 0 0 46 97 1 0 0 0 0 47 48 1 0 0 0 0 47 51 2 0 0 0 0 48 52 2 0 0 0 0 49 50 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 51 55 1 0 0 0 0 51100 1 0 0 0 0 52 56 1 0 0 0 0 52101 1 0 0 0 0 53 57 1 0 0 0 0 53102 1 0 0 0 0 53103 1 0 0 0 0 54104 1 0 0 0 0 54105 1 0 0 0 0 54106 1 0 0 0 0 55 56 2 0 0 0 0 55107 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 M END > 73265388 > 1 > 1690 > 11 > 2 > 10 > AAADcfB/vAAAAAAAAAAAAAAAAAAAAWLFgAAwYMECAAAWAFiB9AAAHgAQCAAAD3zhngYyzvPJlgCoAyTyTAKCiCAhIiAImSF+bJgPJv7E9ZuGcChn8Bnb6Af62fOfqAACAgAKAABQgAYECBSgAAAAAAAAAA== > methyl (1R,9S,10S,11R,12R,19R)-11-acetoxy-12-ethyl-4-[(12S,14R)-16-ethyl-12-methoxycarbonyl-1,10-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4,6,8,15-pentaen-12-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-carboxylate > (1R,9S,10S,11R,12R,19R)-11-acetyloxy-12-ethyl-4-[(12S,14R)-16-ethyl-12-methoxycarbonyl-1,10-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4,6,8,15-pentaen-12-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-carboxylic acid methyl ester > methyl (1R,9S,10S,11R,12R,19R)-11-acetyloxy-12-ethyl-4-[(12S,14R)-16-ethyl-12-methoxycarbonyl-1,10-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4,6,8,15-pentaen-12-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-carboxylate > methyl (1R,9S,10S,11R,12R,19R)-11-acetyloxy-12-ethyl-4-[(12S,14R)-16-ethyl-12-methoxycarbonyl-1,10-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4,6,8,15-pentaen-12-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-carboxylate > methyl (1R,9S,10S,11R,12R,19R)-11-acetyloxy-12-ethyl-4-[(12S,14R)-16-ethyl-12-methoxycarbonyl-1,10-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4,6,8,15-pentaen-12-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-carboxylate > (1R,9S,10S,11R,12R,19R)-11-acetoxy-4-[(12S,14R)-12-carbomethoxy-16-ethyl-1,10-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4,6,8,15-pentaen-12-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-carboxylic acid methyl ester > InChI=1S/C45H54N4O8/c1-8-27-19-28-22-44(40(51)55-6,36-30(25-48(23-27)24-28)29-13-10-11-14-33(29)46-36)32-20-31-34(21-35(32)54-5)47(4)38-43(31)16-18-49-17-12-15-42(9-2,37(43)49)39(57-26(3)50)45(38,53)41(52)56-7/h10-15,19-21,28,37-39,46,53H,8-9,16-18,22-25H2,1-7H3/t28-,37-,38-,39+,42+,43+,44-,45-/m0/s1 > GBABOYUKABKIAF-SULIYOFUSA-N > 3.6 > 778.39416469 > C45H54N4O8 > 778.9 > CCC1=CC2CC(C3=C(CN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)C78CCN9C7C(C=CC9)(C(C(C8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC > CCC1=C[C@H]2C[C@@](C3=C(CN(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)OC(=O)C)CC)OC)C(=O)OC > 134 > 778.39416469 > 0 > 57 > 8 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 19 1 6 11 37 8 11 48 8 13 18 6 14 58 5 15 22 5 16 59 5 17 2 6 20 23 8 20 28 8 23 30 8 28 32 8 30 33 8 32 33 8 34 38 5 37 42 8 39 82 6 42 47 8 47 48 8 47 51 8 48 52 8 51 55 8 52 56 8 55 56 8 $$$$