5281411 -OEChem-05082414142D 92102 0 1 0 0 0 0 0999 V2000 11.4653 -1.7014 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3305 1.7787 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7457 -3.9589 0.0000 N 0 3 1 0 0 0 0 0 0 0 0 0 6.0501 4.0362 0.0000 N 0 3 1 0 0 0 0 0 0 0 0 0 5.9740 -0.8852 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8218 0.9626 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7460 -2.2984 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0498 2.3757 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5675 -2.9388 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2283 3.0162 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8979 -1.2679 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8979 1.3452 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2955 -3.2307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5003 3.3080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5298 -2.5402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2660 2.6176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6578 -1.5065 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1380 1.5838 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.9366 -4.1969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8592 4.2742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8218 -0.8852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9740 0.9626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7696 -2.4802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0262 2.5576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5843 -3.4097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2115 3.4870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9337 -2.4702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8621 2.5475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2045 0.0387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5914 0.0387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2935 -1.6086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5024 1.6859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9178 -4.9439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6306 4.9439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2450 -3.3719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5508 3.4492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9330 -2.5088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8628 2.5862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2597 -1.5682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5361 1.6456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2106 -3.3554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5852 3.4328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7146 -2.4475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0812 2.5249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4661 -1.6627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3298 1.7401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1369 -3.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6589 3.6473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6832 -1.5932 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1126 1.6705 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7939 -2.8662 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8479 -3.6597 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0019 2.9436 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9480 3.7370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6656 -3.1452 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1491 -2.5100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1302 3.2225 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6467 2.5873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7623 -0.6629 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3565 1.2495 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3884 -4.4864 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1700 -4.7712 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4074 4.5638 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6258 4.8486 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7484 -4.0076 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2037 -3.4370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0475 4.0849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5921 3.5144 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8245 0.0387 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9714 0.0387 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3070 -5.0506 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0245 -5.5547 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5285 -4.8372 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1934 5.2041 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3705 5.5067 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0678 4.6838 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5485 -3.9125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2473 3.9899 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2220 -3.0573 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5738 3.1347 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9688 -1.0207 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8270 1.0981 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8901 -3.8862 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9058 3.9635 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0948 -2.4305 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7010 2.5079 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5972 -1.0568 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8921 -1.4283 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1986 1.1341 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9038 1.5057 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7958 -1.1768 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.2541 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 45 1 0 0 0 0 1 91 1 0 0 0 0 2 46 1 0 0 0 0 2 92 1 0 0 0 0 3 9 1 0 0 0 0 3 19 1 0 0 0 0 3 25 1 0 0 0 0 3 33 1 1 0 0 0 4 10 1 0 0 0 0 4 20 1 0 0 0 0 4 26 1 0 0 0 0 4 34 1 1 0 0 0 5 11 1 0 0 0 0 5 30 1 0 0 0 0 5 31 1 0 0 0 0 6 12 1 0 0 0 0 6 29 1 0 0 0 0 6 32 1 0 0 0 0 7 9 1 0 0 0 0 7 11 1 0 0 0 0 7 13 1 0 0 0 0 7 23 1 1 0 0 0 8 10 1 0 0 0 0 8 12 1 0 0 0 0 8 14 1 0 0 0 0 8 24 1 1 0 0 0 9 15 1 0 0 0 0 9 47 1 1 0 0 0 10 16 1 0 0 0 0 10 48 1 1 0 0 0 11 21 1 0 0 0 0 11 49 1 6 0 0 0 12 22 1 0 0 0 0 12 50 1 6 0 0 0 13 19 1 0 0 0 0 13 51 1 0 0 0 0 13 52 1 0 0 0 0 14 20 1 0 0 0 0 14 53 1 0 0 0 0 14 54 1 0 0 0 0 15 17 1 0 0 0 0 15 55 1 0 0 0 0 15 56 1 0 0 0 0 16 18 1 0 0 0 0 16 57 1 0 0 0 0 16 58 1 0 0 0 0 17 21 1 0 0 0 0 17 27 1 0 0 0 0 17 59 1 1 0 0 0 18 22 1 0 0 0 0 18 28 1 0 0 0 0 18 60 1 1 0 0 0 19 61 1 0 0 0 0 19 62 1 0 0 0 0 20 63 1 0 0 0 0 20 64 1 0 0 0 0 21 29 2 0 0 0 0 22 30 2 0 0 0 0 23 31 1 0 0 0 0 23 35 2 0 0 0 0 24 32 1 0 0 0 0 24 36 2 0 0 0 0 25 27 1 0 0 0 0 25 65 1 0 0 0 0 25 66 1 0 0 0 0 26 28 1 0 0 0 0 26 67 1 0 0 0 0 26 68 1 0 0 0 0 27 37 2 0 0 0 0 28 38 2 0 0 0 0 29 69 1 0 0 0 0 30 70 1 0 0 0 0 31 39 2 0 0 0 0 32 40 2 0 0 0 0 33 71 1 0 0 0 0 33 72 1 0 0 0 0 33 73 1 0 0 0 0 34 74 1 0 0 0 0 34 75 1 0 0 0 0 34 76 1 0 0 0 0 35 41 1 0 0 0 0 35 77 1 0 0 0 0 36 42 1 0 0 0 0 36 78 1 0 0 0 0 37 45 1 0 0 0 0 37 79 1 0 0 0 0 38 46 1 0 0 0 0 38 80 1 0 0 0 0 39 43 1 0 0 0 0 39 81 1 0 0 0 0 40 44 1 0 0 0 0 40 82 1 0 0 0 0 41 43 2 0 0 0 0 41 83 1 0 0 0 0 42 44 2 0 0 0 0 42 84 1 0 0 0 0 43 85 1 0 0 0 0 44 86 1 0 0 0 0 45 87 1 0 0 0 0 45 88 1 0 0 0 0 46 89 1 0 0 0 0 46 90 1 0 0 0 0 M CHG 2 3 1 4 1 M END > 5281411 > 1 > 1390 > 4 > 2 > 2 > AAADcfB/sAAAAAAAAAAAAAAAAAAAAWLFiwA8eMGCAAAQAFgBQAAAHgAACAAADyjhmAYywIMAAgCAAiRGQACCAAAhAgAIiAAIZIgINCLA0ZGEMAhggADI2AcQgMAPgAAAAAACAACAAACACAQAAAAAAAAAAA== > (2E)-2-[(1S,9Z,11S,13S,14S,17S,25Z,27S,30S,33S,35S,36S,38E)-38-(2-hydroxyethylidene)-14,30-dimethyl-8,24-diaza-14,30-diazoniaundecacyclo[25.5.2.211,14.11,26.110,17.02,7.013,17.018,23.030,33.08,35.024,36]octatriaconta-2,4,6,9,18,20,22,25-octaen-28-ylidene]ethanol > (2E)-2-[(1S,9Z,11S,13S,14S,17S,25Z,27S,30S,33S,35S,36S,38E)-38-(2-hydroxyethylidene)-14,30-dimethyl-8,24-diaza-14,30-diazoniaundecacyclo[25.5.2.211,14.11,26.110,17.02,7.013,17.018,23.030,33.08,35.024,36]octatriaconta-2,4,6,9,18,20,22,25-octaen-28-ylidene]ethanol > (2E)-2-[(1S,9Z,11S,13S,14S,17S,25Z,27S,30S,33S,35S,36S,38E)-38-(2-hydroxyethylidene)-14,30-dimethyl-8,24-diaza-14,30-diazoniaundecacyclo[25.5.2.211,14.11,26.110,17.02,7.013,17.018,23.030,33.08,35.024,36]octatriaconta-2,4,6,9,18,20,22,25-octaen-28-ylidene]ethanol > (2E)-2-[(1S,9Z,11S,13S,14S,17S,25Z,27S,30S,33S,35S,36S,38E)-38-(2-hydroxyethylidene)-14,30-dimethyl-8,24-diaza-14,30-diazoniaundecacyclo[25.5.2.211,14.11,26.110,17.02,7.013,17.018,23.030,33.08,35.024,36]octatriaconta-2,4,6,9,18,20,22,25-octaen-28-ylidene]ethanol > (2E)-2-[(1S,9Z,11S,13S,14S,17S,25Z,27S,30S,33S,35S,36S,38E)-14,30-dimethyl-38-(2-oxidanylethylidene)-8,24-diaza-14,30-diazoniaundecacyclo[25.5.2.211,14.11,26.110,17.02,7.013,17.018,23.030,33.08,35.024,36]octatriaconta-2,4,6,9,18,20,22,25-octaen-28-ylidene]ethanol > (2E)-2-[(1S,9Z,11S,13S,14S,17S,25Z,27S,30S,33S,35S,36S,38E)-38-(2-hydroxyethylidene)-14,30-dimethyl-8,24-diaza-14,30-diazoniaundecacyclo[25.5.2.211,14.11,26.110,17.02,7.013,17.018,23.030,33.08,35.024,36]octatriaconta-2,4,6,9,18,20,22,25-octaen-28-ylidene]ethanol > InChI=1S/C40H46N4O2/c1-43-15-13-39-31-7-3-5-9-33(31)41-22-30-28-20-36-40(14-16-44(36,2)24-26(28)12-18-46)32-8-4-6-10-34(32)42(38(30)40)21-29(37(39)41)27(19-35(39)43)25(23-43)11-17-45/h3-12,21-22,27-28,35-38,45-46H,13-20,23-24H2,1-2H3/q+2/b25-11-,26-12-,29-21-,30-22-/t27-,28-,35-,36-,37-,38-,39+,40+,43-,44-/m0/s1 > IIYHWTVUYIYKKG-QQRSFBQTSA-N > 1.8 > 614.36207672 > C40H46N4O2+2 > 614.8 > C[N+]12CCC34C1CC(C(=CCO)C2)C5=CN6C7C(=CN(C53)C8=CC=CC=C48)C9CC1C7(CC[N+]1(CC9=CCO)C)C1=CC=CC=C16 > C[N@@+]12[C@@H]3[C@]4(C5=CC=CC=C5N/6[C@H]4/C(=C\N7[C@H]8/C(=C6)/[C@@H]9/C(=C\CO)/C[N@+]4([C@H]([C@]8(C5=CC=CC=C75)CC4)C9)C)/[C@@H](C3)/C(=C\CO)/C1)CC2 > 46.9 > 614.36207672 > 2 > 46 > 10 > 0 > 4 > 0 > 0 > 1 > -1 > 1 5 255 > 10 48 5 11 49 6 12 50 6 17 59 5 18 60 5 23 31 8 23 35 8 24 32 8 24 36 8 3 33 5 31 39 8 32 40 8 35 41 8 36 42 8 39 43 8 4 34 5 40 44 8 41 43 8 42 44 8 7 23 5 8 24 5 9 47 5 $$$$