11953931 -OEChem-04252421352D 104112 0 1 0 0 0 0 0999 V2000 10.9730 0.4736 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2412 1.2037 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3912 0.6103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7248 -3.0138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4007 -4.2562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0615 3.8855 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 9.4255 0.7101 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0133 -3.6040 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 7.9311 -1.8417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.6850 3.1036 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.4624 2.1287 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.2127 1.7079 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.6755 3.4260 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.2150 1.4085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4445 2.7234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7657 3.4177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5615 1.6948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0615 3.8855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8867 4.4034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6605 2.1287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2399 1.1538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4380 3.1036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9754 1.4084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4472 0.5334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8388 4.7092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9410 1.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9173 -0.3561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8821 -0.3340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3604 -1.1872 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5641 -1.6203 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3906 0.5774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3726 -1.0317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4087 -2.6082 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.9972 -3.4166 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7505 -0.5013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9490 -1.9956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9851 -3.5721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6030 -1.9020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7935 -2.9835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3350 -2.8670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6809 -3.4316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6839 -3.2971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3825 -2.7274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2163 -4.5831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8908 -1.1999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9353 -4.4353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9199 1.4923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3872 -2.9781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1428 -0.2321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9339 -4.7092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6647 -3.9757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.7028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8741 3.9323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4277 0.8855 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2661 3.6144 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7160 1.0406 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4922 0.8539 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0164 2.4840 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7782 3.2459 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3837 3.4680 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8235 4.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1994 4.4899 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5029 4.1545 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8025 5.0177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2672 4.4272 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0514 3.5884 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8794 2.8346 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8729 0.2809 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0284 4.1189 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4291 4.8988 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6492 5.2995 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6530 2.0035 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2179 -0.8984 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0038 -0.4156 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1890 -0.8576 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6242 -0.4651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8904 -0.6420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8597 -2.3200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0109 -4.2665 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1460 -0.3634 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6125 -1.1058 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3549 -0.6393 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7335 -4.1387 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4673 -3.9618 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7784 -2.5939 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9640 -3.3638 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2130 -1.2895 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6092 -4.7090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3421 -5.1902 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8234 -4.4573 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2931 -1.3646 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4926 -4.8695 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4668 1.7844 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6278 2.0391 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3731 1.2001 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8196 -2.5338 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7428 -0.3884 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2990 0.3679 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5428 -0.0759 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0931 -5.3084 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2645 -4.1327 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5728 -3.2534 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5506 -4.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4272 -4.1522 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 21 1 0 0 0 0 1 35 1 0 0 0 0 2 21 2 0 0 0 0 3 31 1 0 0 0 0 3 47 1 0 0 0 0 4 42 1 0 0 0 0 4 52 1 0 0 0 0 5 42 2 0 0 0 0 6 10 1 0 0 0 0 6 16 1 0 0 0 0 6 18 1 0 0 0 0 7 17 1 0 0 0 0 7 24 1 0 0 0 0 7 68 1 0 0 0 0 8 34 1 0 0 0 0 8 40 1 0 0 0 0 8 44 1 0 0 0 0 9 36 1 0 0 0 0 9 43 1 0 0 0 0 9 87 1 0 0 0 0 10 11 1 0 0 0 0 10 13 1 0 0 0 0 10 53 1 6 0 0 0 11 14 1 0 0 0 0 11 17 1 0 0 0 0 11 21 1 6 0 0 0 12 14 1 0 0 0 0 12 15 1 0 0 0 0 12 16 1 0 0 0 0 12 54 1 6 0 0 0 13 15 1 0 0 0 0 13 19 1 1 0 0 0 13 55 1 0 0 0 0 14 56 1 0 0 0 0 14 57 1 0 0 0 0 15 58 1 0 0 0 0 15 59 1 0 0 0 0 16 60 1 0 0 0 0 16 61 1 0 0 0 0 17 20 2 0 0 0 0 18 22 1 0 0 0 0 18 62 1 0 0 0 0 18 63 1 0 0 0 0 19 25 1 0 0 0 0 19 64 1 0 0 0 0 19 65 1 0 0 0 0 20 22 1 0 0 0 0 20 23 1 0 0 0 0 22 66 1 0 0 0 0 22 67 1 0 0 0 0 23 24 1 0 0 0 0 23 26 2 0 0 0 0 24 27 2 0 0 0 0 25 69 1 0 0 0 0 25 70 1 0 0 0 0 25 71 1 0 0 0 0 26 31 1 0 0 0 0 26 72 1 0 0 0 0 27 28 1 0 0 0 0 27 73 1 0 0 0 0 28 29 1 0 0 0 0 28 31 2 0 0 0 0 29 32 1 0 0 0 0 29 36 1 0 0 0 0 29 74 1 1 0 0 0 30 32 1 0 0 0 0 30 33 1 0 0 0 0 30 38 1 0 0 0 0 30 75 1 1 0 0 0 32 76 1 0 0 0 0 32 77 1 0 0 0 0 33 34 1 0 0 0 0 33 42 1 0 0 0 0 33 78 1 0 0 0 0 34 37 1 0 0 0 0 34 79 1 6 0 0 0 35 80 1 0 0 0 0 35 81 1 0 0 0 0 35 82 1 0 0 0 0 36 39 2 0 0 0 0 37 39 1 0 0 0 0 37 83 1 0 0 0 0 37 84 1 0 0 0 0 38 40 1 0 0 0 0 38 45 2 0 0 0 0 39 41 1 0 0 0 0 40 85 1 0 0 0 0 40 86 1 0 0 0 0 41 43 1 0 0 0 0 41 46 2 0 0 0 0 43 48 2 0 0 0 0 44 88 1 0 0 0 0 44 89 1 0 0 0 0 44 90 1 0 0 0 0 45 49 1 0 0 0 0 45 91 1 0 0 0 0 46 50 1 0 0 0 0 46 92 1 0 0 0 0 47 93 1 0 0 0 0 47 94 1 0 0 0 0 47 95 1 0 0 0 0 48 51 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 50 51 2 0 0 0 0 50100 1 0 0 0 0 51101 1 0 0 0 0 52102 1 0 0 0 0 52103 1 0 0 0 0 52104 1 0 0 0 0 M END > 11953931 > 1 > 1410 > 7 > 2 > 7 > AAADcfB/uAAAAAAAAAAAAAAAAAAAAWLAAAA8ePECBYAYAFix/gAAHgAQAAAADyzBngYyzvPJlACoAyTyTACCiCAhIiAImSE+bJgMJvrE9ZuEMChm0BHI6Ae42fOPwEABQAAKAACQgAaAABQAAAAAAAAAAA== > methyl (1S,15S,17S,18S)-17-ethyl-6-[(1R,12R,14R,15E)-15-ethylidene-18-methoxycarbonyl-17-methyl-10,17-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4,6,8-tetraen-12-yl]-7-methoxy-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8-tetraene-1-carboxylate > (1S,15S,17S,18S)-17-ethyl-6-[(1R,12R,14R,15E)-15-ethylidene-18-methoxycarbonyl-17-methyl-10,17-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4,6,8-tetraen-12-yl]-7-methoxy-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8-tetraene-1-carboxylic acid methyl ester > methyl (1S,15S,17S,18S)-17-ethyl-6-[(1R,12R,14R,15E)-15-ethylidene-18-methoxycarbonyl-17-methyl-10,17-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4,6,8-tetraen-12-yl]-7-methoxy-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8-tetraene-1-carboxylate > methyl (1S,15S,17S,18S)-17-ethyl-6-[(1R,12R,14R,15E)-15-ethylidene-18-methoxycarbonyl-17-methyl-10,17-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4,6,8-tetraen-12-yl]-7-methoxy-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8-tetraene-1-carboxylate > methyl (1S,15S,17S,18S)-17-ethyl-6-[(1R,12R,14R,15E)-15-ethylidene-18-methoxycarbonyl-17-methyl-10,17-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4,6,8-tetraen-12-yl]-7-methoxy-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8-tetraene-1-carboxylate > (1S,15S,17S,18S)-6-[(1R,12R,14R,15E)-18-carbomethoxy-15-ethylidene-17-methyl-10,17-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4,6,8-tetraen-12-yl]-17-ethyl-7-methoxy-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8-tetraene-1-carboxylic acid methyl ester > InChI=1S/C43H52N4O5/c1-7-24-15-23-20-43(42(49)52-6)39-27(13-14-47(21-23)40(24)43)29-19-36(50-4)30(17-34(29)45-39)31-16-28-25(8-2)22-46(3)35(37(28)41(48)51-5)18-32-26-11-9-10-12-33(26)44-38(31)32/h8-12,17,19,23-24,28,31,35,37,40,44-45H,7,13-16,18,20-22H2,1-6H3/b25-8-/t23-,24-,28-,31+,35+,37?,40-,43+/m0/s1 > VCMIRXRRQJNZJT-XRMSBCOFSA-N > 6.1 > 704.39377077 > C43H52N4O5 > 704.9 > CCC1CC2CC3(C1N(C2)CCC4=C3NC5=CC(=C(C=C45)OC)C6CC7C(C(CC8=C6NC9=CC=CC=C89)N(CC7=CC)C)C(=O)OC)C(=O)OC > CC[C@H]1C[C@H]2C[C@@]3([C@H]1N(C2)CCC4=C3NC5=CC(=C(C=C45)OC)[C@H]6C[C@@H]\7C([C@@H](CC8=C6NC9=CC=CC=C89)N(C/C7=C/C)C)C(=O)OC)C(=O)OC > 99.9 > 704.39377077 > 0 > 52 > 7 > 1 > 1 > 0 > 0 > 1 > -1 > 1 5 255 > 10 53 6 11 21 6 12 54 6 13 19 5 17 20 8 20 23 8 23 24 8 23 26 8 24 27 8 26 31 8 27 28 8 28 31 8 29 74 5 30 75 5 33 42 3 34 79 6 36 39 8 39 41 8 41 43 8 41 46 8 43 48 8 46 50 8 48 51 8 50 51 8 7 17 8 7 24 8 9 36 8 9 43 8 $$$$