72201037 -OEChem-05102407372D 99106 0 1 0 0 0 0 0999 V2000 3.0849 0.9683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6437 1.8064 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1612 0.6375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9839 4.3994 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2670 3.9735 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8662 4.8573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8499 0.1642 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9839 -1.3358 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9325 -4.1394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6246 -2.9354 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1792 2.5703 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 7.3739 -3.2755 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2325 2.9656 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2325 2.0980 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2345 2.8595 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.5542 3.5065 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7084 1.7501 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7084 3.3134 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3320 2.5318 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5542 1.5571 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9839 1.6642 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9839 3.3994 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.6320 4.3706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8342 4.7116 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.2634 4.0582 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.6871 2.8017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1792 1.8184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7352 2.0980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6871 4.2862 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7352 2.9656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9839 0.6642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9832 3.1650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7610 -0.1626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9002 2.7661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8499 4.8994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8422 3.0683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9504 5.8538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8499 -0.8358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7159 -1.3358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7159 -2.3358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5820 -0.8358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5820 -2.8358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4480 -1.3358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4480 -2.3358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9331 -4.1045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4126 -3.5511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3174 -4.8925 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3778 -4.5505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5931 -5.8538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2961 1.2504 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3585 3.4670 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3358 3.8406 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8593 3.2753 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7546 0.9704 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4470 3.7094 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8148 4.9630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2403 4.2508 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8550 5.5613 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9833 4.6113 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5252 2.2032 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0725 2.8834 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7986 1.8450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2322 1.2007 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3458 2.2057 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9473 1.5154 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7652 4.9013 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9473 3.5482 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3458 2.8579 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7718 0.0816 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3733 0.7719 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3114 0.3912 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0408 1.9511 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5335 3.5919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3255 3.6820 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2571 0.2093 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1329 -0.6587 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2650 -0.5345 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1475 3.3346 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4687 2.5188 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6528 2.1976 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5399 5.4363 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3868 5.2094 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1599 4.3624 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4034 2.8049 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5787 2.5070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2809 3.3317 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3326 5.9060 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0026 6.4716 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5682 5.8016 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5820 -0.2158 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5820 -3.4558 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9849 -1.0258 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9849 -2.6458 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8640 -5.3154 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2278 -5.1521 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7638 -4.4642 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1891 -5.6829 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7640 -6.4498 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9971 -6.0247 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17 1 1 1 0 0 0 1 71 1 0 0 0 0 19 2 1 6 0 0 0 2 72 1 0 0 0 0 20 3 1 6 0 0 0 3 33 1 0 0 0 0 22 4 1 1 0 0 0 4 35 1 0 0 0 0 25 5 1 1 0 0 0 5 36 1 0 0 0 0 29 6 1 6 0 0 0 6 37 1 0 0 0 0 7 31 1 0 0 0 0 7 38 1 0 0 0 0 8 38 2 0 0 0 0 9 45 2 0 0 0 0 10 46 2 0 0 0 0 11 15 1 0 0 0 0 11 27 1 0 0 0 0 11 32 1 0 0 0 0 12 40 1 0 0 0 0 12 45 1 0 0 0 0 12 46 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 16 1 0 0 0 0 13 22 1 1 0 0 0 14 20 1 0 0 0 0 14 21 1 0 0 0 0 14 50 1 6 0 0 0 15 17 1 0 0 0 0 15 51 1 0 0 0 0 16 18 1 0 0 0 0 16 23 1 0 0 0 0 16 52 1 6 0 0 0 17 19 1 0 0 0 0 17 20 1 0 0 0 0 18 19 1 0 0 0 0 18 25 1 0 0 0 0 18 53 1 6 0 0 0 19 26 1 0 0 0 0 20 54 1 0 0 0 0 21 27 1 0 0 0 0 21 28 1 0 0 0 0 21 31 1 6 0 0 0 22 30 1 0 0 0 0 22 55 1 0 0 0 0 23 24 1 0 0 0 0 23 56 1 0 0 0 0 23 57 1 0 0 0 0 24 25 1 0 0 0 0 24 29 1 0 0 0 0 24 58 1 6 0 0 0 25 59 1 0 0 0 0 26 29 1 0 0 0 0 26 60 1 0 0 0 0 26 61 1 0 0 0 0 27 62 1 0 0 0 0 27 63 1 0 0 0 0 28 30 1 0 0 0 0 28 64 1 0 0 0 0 28 65 1 0 0 0 0 29 66 1 0 0 0 0 30 67 1 0 0 0 0 30 68 1 0 0 0 0 31 69 1 0 0 0 0 31 70 1 0 0 0 0 32 34 1 0 0 0 0 32 73 1 0 0 0 0 32 74 1 0 0 0 0 33 75 1 0 0 0 0 33 76 1 0 0 0 0 33 77 1 0 0 0 0 34 78 1 0 0 0 0 34 79 1 0 0 0 0 34 80 1 0 0 0 0 35 81 1 0 0 0 0 35 82 1 0 0 0 0 35 83 1 0 0 0 0 36 84 1 0 0 0 0 36 85 1 0 0 0 0 36 86 1 0 0 0 0 37 87 1 0 0 0 0 37 88 1 0 0 0 0 37 89 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 39 41 2 0 0 0 0 40 42 2 0 0 0 0 41 43 1 0 0 0 0 41 90 1 0 0 0 0 42 44 1 0 0 0 0 42 91 1 0 0 0 0 43 44 2 0 0 0 0 43 92 1 0 0 0 0 44 93 1 0 0 0 0 45 47 1 0 0 0 0 46 48 1 0 0 0 0 47 48 1 0 0 0 0 47 49 1 1 0 0 0 47 94 1 0 0 0 0 48 95 1 0 0 0 0 48 96 1 0 0 0 0 49 97 1 0 0 0 0 49 98 1 0 0 0 0 49 99 1 0 0 0 0 M END > 72201037 > 1 > 1380 > 11 > 2 > 10 > AAADcfB/PAAAAAAAAAAAAAAAAAAAAeMEAAA8YMGCB4gWAGABAAAAHgAACAAAD3zhmAYyyIMABgCIAiXSWACCAAAlAgAIiAEIbMgLJjrAtZmGcYhnxCHb6cf9+P+PgAAAAAACAADQAAaUADSgAaEADSgAAA== > [(1R,2R,3R,4S,5R,6S,8R,9S,13S,16S,17R,18S)-11-ethyl-8,9-dihydroxy-4,6,16,18-tetramethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-13-yl]methyl 2-[(3S)-3-methyl-2,5-dioxo-pyrrolidin-1-yl]benzoate > 2-[(3S)-3-methyl-2,5-dioxo-1-pyrrolidinyl]benzoic acid [(1R,2R,3R,4S,5R,6S,8R,9S,13S,16S,17R,18S)-11-ethyl-8,9-dihydroxy-4,6,16,18-tetramethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-13-yl]methyl ester > [(1R,2R,3R,4S,5R,6S,8R,9S,13S,16S,17R,18S)-11-ethyl-8,9-dihydroxy-4,6,16,18-tetramethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-13-yl]methyl 2-[(3S)-3-methyl-2,5-dioxopyrrolidin-1-yl]benzoate > [(1R,2R,3R,4S,5R,6S,8R,9S,13S,16S,17R,18S)-11-ethyl-8,9-dihydroxy-4,6,16,18-tetramethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-13-yl]methyl 2-[(3S)-3-methyl-2,5-dioxopyrrolidin-1-yl]benzoate > [(1R,2R,3R,4S,5R,6S,8R,9S,13S,16S,17R,18S)-11-ethyl-4,6,16,18-tetramethoxy-8,9-bis(oxidanyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-13-yl]methyl 2-[(3S)-3-methyl-2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzoate > 2-[(3S)-2,5-diketo-3-methyl-pyrrolidino]benzoic acid [(1R,2R,3R,4S,5R,6S,8R,9S,13S,16S,17R,18S)-11-ethyl-8,9-dihydroxy-4,6,16,18-tetramethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-13-yl]methyl ester > InChI=1S/C37H50N2O10/c1-7-38-17-34(18-49-32(42)20-10-8-9-11-23(20)39-26(40)14-19(2)31(39)41)13-12-25(46-4)36-22-15-21-24(45-3)16-35(43,27(22)28(21)47-5)37(44,33(36)38)30(48-6)29(34)36/h8-11,19,21-22,24-25,27-30,33,43-44H,7,12-18H2,1-6H3/t19-,21+,22+,24-,25-,27+,28-,29+,30-,33?,34-,35+,36+,37+/m0/s1 > XLTANAWLDBYGFU-XECZPATRSA-N > 1 > 682.34654580 > C37H50N2O10 > 682.8 > CCN1CC2(CCC(C34C2C(C(C31)(C5(CC(C6CC4C5C6OC)OC)O)O)OC)OC)COC(=O)C7=CC=CC=C7N8C(=O)CC(C8=O)C > CCN1C[C@@]2(CC[C@@H]([C@]34[C@@H]2[C@@H]([C@@](C31)([C@]5(C[C@@H]([C@H]6C[C@@H]4[C@@H]5[C@H]6OC)OC)O)O)OC)OC)COC(=O)C7=CC=CC=C7N8C(=O)C[C@@H](C8=O)C > 144 > 682.34654580 > 0 > 49 > 13 > 1 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 17 1 5 15 11 3 13 22 5 14 50 6 16 52 6 18 53 6 19 2 6 21 31 6 24 58 6 20 3 6 39 40 8 39 41 8 22 4 5 40 42 8 41 43 8 42 44 8 43 44 8 47 49 5 25 5 5 29 6 6 $$$$