73603992 -OEChem-04252404292D 99109 0 1 0 0 0 0 0999 V2000 9.4608 2.7854 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8511 3.2226 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4605 -1.2330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7171 1.7226 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5631 -3.5458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6867 -2.7226 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4187 -2.7159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3591 0.1879 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 13.7221 0.0555 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5361 1.5849 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.1659 -1.2130 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.2530 1.7226 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.2530 0.7226 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3591 2.2572 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.1190 0.2226 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4530 1.7434 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4530 0.7018 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.1190 2.2226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7539 -0.7017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7603 -0.7213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2530 2.7226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9851 0.7226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3283 -0.7492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9851 1.7226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5889 0.1984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3510 0.1859 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.3170 -0.8523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5397 0.6502 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.1190 3.2226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9700 0.1922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7776 0.6627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.1797 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.7075 -1.5780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2816 0.7815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5925 -0.7363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3546 -0.7488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8511 2.2226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3438 2.0553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9736 -0.7425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7356 -0.7550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7535 -1.7913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5469 -1.2192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7848 -1.2068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8680 -0.3236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7248 2.0491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9208 0.6439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1222 -2.5268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1521 -2.6342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9172 1.5786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.1730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5508 -2.2192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7171 3.7226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6906 -3.7226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5169 1.1476 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6753 2.7905 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8330 1.7457 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4579 -0.1482 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5176 2.6975 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7205 2.6975 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6845 -1.3178 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3555 -0.8517 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1651 -0.8948 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8540 -1.3342 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0410 3.3052 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6424 2.6149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3288 0.1833 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2742 1.0780 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4290 2.6856 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6560 3.5326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8090 3.7595 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7752 1.2826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0916 -1.5066 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6271 0.2667 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7888 1.1381 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8559 2.4049 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0128 2.5796 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1246 -0.6497 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5258 -1.3384 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3708 -1.8484 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1683 -1.8330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7872 -1.8268 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4712 -0.8001 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2683 -0.7971 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1215 2.5256 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3245 2.5225 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3850 0.3319 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7562 -3.0273 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3790 1.8866 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4629 -1.8530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3079 0.7111 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4619 0.4809 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6921 -0.3651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0271 3.1856 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2541 4.0326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4071 4.2595 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1800 -3.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0706 -3.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6929 -4.3426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3105 -3.7202 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14 1 1 1 0 0 0 16 1 1 1 0 0 0 2 37 1 0 0 0 0 2 52 1 0 0 0 0 3 35 1 0 0 0 0 3 89 1 0 0 0 0 4 37 2 0 0 0 0 5 48 1 0 0 0 0 5 96 1 0 0 0 0 6 51 1 0 0 0 0 6 53 1 0 0 0 0 7 51 2 0 0 0 0 8 13 1 0 0 0 0 8 17 1 0 0 0 0 8 20 1 0 0 0 0 9 22 1 0 0 0 0 9 27 1 0 0 0 0 9 66 1 0 0 0 0 10 28 1 0 0 0 0 10 38 1 0 0 0 0 10 45 1 0 0 0 0 11 36 1 0 0 0 0 11 39 1 0 0 0 0 11 80 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 18 1 0 0 0 0 12 21 1 6 0 0 0 13 15 1 0 0 0 0 13 54 1 6 0 0 0 14 16 1 0 0 0 0 14 55 1 0 0 0 0 15 19 1 1 0 0 0 15 22 1 0 0 0 0 15 23 1 0 0 0 0 16 17 1 0 0 0 0 16 56 1 0 0 0 0 17 25 1 0 0 0 0 17 57 1 1 0 0 0 18 24 1 0 0 0 0 18 58 1 0 0 0 0 18 59 1 0 0 0 0 19 20 1 0 0 0 0 19 60 1 0 0 0 0 19 61 1 0 0 0 0 20 62 1 0 0 0 0 20 63 1 0 0 0 0 21 29 1 0 0 0 0 21 64 1 0 0 0 0 21 65 1 0 0 0 0 22 24 2 0 0 0 0 23 27 2 0 0 0 0 23 33 1 0 0 0 0 24 37 1 0 0 0 0 25 31 2 0 0 0 0 25 35 1 0 0 0 0 26 28 1 0 0 0 0 26 30 1 0 0 0 0 26 34 1 6 0 0 0 26 36 1 0 0 0 0 27 41 1 0 0 0 0 28 32 1 0 0 0 0 28 67 1 1 0 0 0 29 68 1 0 0 0 0 29 69 1 0 0 0 0 29 70 1 0 0 0 0 30 31 1 0 0 0 0 30 39 2 0 0 0 0 31 71 1 0 0 0 0 32 40 1 0 0 0 0 32 44 1 1 0 0 0 32 46 1 0 0 0 0 33 47 2 0 0 0 0 33 72 1 0 0 0 0 34 38 1 0 0 0 0 34 73 1 0 0 0 0 34 74 1 0 0 0 0 35 43 2 0 0 0 0 36 42 2 0 0 0 0 38 75 1 0 0 0 0 38 76 1 0 0 0 0 39 43 1 0 0 0 0 40 42 1 0 0 0 0 40 77 1 0 0 0 0 40 78 1 0 0 0 0 41 48 2 0 0 0 0 41 79 1 0 0 0 0 42 51 1 0 0 0 0 43 81 1 0 0 0 0 44 50 1 0 0 0 0 44 82 1 0 0 0 0 44 83 1 0 0 0 0 45 49 1 0 0 0 0 45 84 1 0 0 0 0 45 85 1 0 0 0 0 46 49 2 0 0 0 0 46 86 1 0 0 0 0 47 48 1 0 0 0 0 47 87 1 0 0 0 0 49 88 1 0 0 0 0 50 90 1 0 0 0 0 50 91 1 0 0 0 0 50 92 1 0 0 0 0 52 93 1 0 0 0 0 52 94 1 0 0 0 0 52 95 1 0 0 0 0 53 97 1 0 0 0 0 53 98 1 0 0 0 0 53 99 1 0 0 0 0 M END > 73603992 > 1 > 1750 > 11 > 4 > 7 > AAADcfB/uAAAAAAAAAAAAAAAEgAAAWLFiwA8YIECBYAAAFiBQAAAHgAQCAAADjzhmAYyzoPABgCIAiTSSACCAAAhIgAIiAEObMgKJjLC8ZOHcAhm0BnY+Uf4/f/fqAACAgAKAABQAAQEABQAAAAAAAAAAA== > methyl (1R,12S,13S,15R,16R,20R)-12-ethyl-16-[(1R,12R,19S)-12-ethyl-5-hydroxy-10-methoxycarbonyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5,9,13-pentaen-4-yl]-5-hydroxy-14-oxa-8,17-diazahexacyclo[10.7.1.01,9.02,7.013,15.017,20]icosa-2(7),3,5,9-tetraene-10-carboxylate > (1R,12S,13S,15R,16R,20R)-12-ethyl-16-[(1R,12R,19S)-12-ethyl-5-hydroxy-10-methoxycarbonyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5,9,13-pentaen-4-yl]-5-hydroxy-14-oxa-8,17-diazahexacyclo[10.7.1.01,9.02,7.013,15.017,20]eicosa-2(7),3,5,9-tetraene-10-carboxylic acid methyl ester > methyl (1R,12S,13S,15R,16R,20R)-12-ethyl-16-[(1R,12R,19S)-12-ethyl-5-hydroxy-10-methoxycarbonyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5,9,13-pentaen-4-yl]-5-hydroxy-14-oxa-8,17-diazahexacyclo[10.7.1.01,9.02,7.013,15.017,20]icosa-2(7),3,5,9-tetraene-10-carboxylate > methyl (1R,12S,13S,15R,16R,20R)-12-ethyl-16-[(1R,12R,19S)-12-ethyl-5-hydroxy-10-methoxycarbonyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5,9,13-pentaen-4-yl]-5-hydroxy-14-oxa-8,17-diazahexacyclo[10.7.1.01,9.02,7.013,15.017,20]icosa-2(7),3,5,9-tetraene-10-carboxylate > methyl (1R,12S,13S,15R,16R,20R)-12-ethyl-16-[(1R,12R,19S)-12-ethyl-10-methoxycarbonyl-5-oxidanyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5,9,13-pentaen-4-yl]-5-oxidanyl-14-oxa-8,17-diazahexacyclo[10.7.1.01,9.02,7.013,15.017,20]icosa-2(7),3,5,9-tetraene-10-carboxylate > (1R,12S,13S,15R,16R,20R)-16-[(1R,12R,19S)-10-carbomethoxy-12-ethyl-5-hydroxy-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5,9,13-pentaen-4-yl]-12-ethyl-5-hydroxy-14-oxa-8,17-diazahexacyclo[10.7.1.01,9.02,7.013,15.017,20]eicosa-2(7),3,5,9-tetraene-10-carboxylic acid methyl ester > InChI=1S/C42H46N4O7/c1-5-39-10-7-13-45-14-11-42(37(39)45)26-17-22(29(48)18-28(26)44-32(42)23(19-39)35(49)51-3)30-31-34(53-31)40(6-2)20-24(36(50)52-4)33-41(12-15-46(30)38(40)41)25-9-8-21(47)16-27(25)43-33/h7-10,16-18,30-31,34,37-38,43-44,47-48H,5-6,11-15,19-20H2,1-4H3/t30-,31-,34-,37+,38+,39+,40-,41+,42+/m1/s1 > LYIGHNVZRJJMOV-FTYDJIKKSA-N > 4.8 > 718.33664982 > C42H46N4O7 > 718.8 > CCC12CC(=C3C4(C1N(CC4)CC=C2)C5=C(N3)C=C(C(=C5)C6C7C(O7)C8(CC(=C9C1(C8N6CC1)C1=C(N9)C=C(C=C1)O)C(=O)OC)CC)O)C(=O)OC > CC[C@]12CC(=C3[C@@]4([C@H]1N(CC4)CC=C2)C5=C(N3)C=C(C(=C5)[C@@H]6[C@@H]7[C@@H](O7)[C@]8(CC(=C9[C@@]1([C@H]8N6CC1)C1=C(N9)C=C(C=C1)O)C(=O)OC)CC)O)C(=O)OC > 136 > 718.33664982 > 0 > 53 > 9 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 14 1 5 16 1 5 12 21 6 13 54 6 15 19 5 17 57 5 23 27 8 23 33 8 25 31 8 25 35 8 26 34 6 27 41 8 28 67 5 30 31 8 30 39 8 32 44 5 33 47 8 35 43 8 39 43 8 41 48 8 47 48 8 $$$$