16155076 -OEChem-06191306172D 115151 0 1 0 0 0 0 0999 V2000 5.7948 -2.7443 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2594 -1.8538 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6269 -1.7132 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4883 -0.1370 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2256 -2.2034 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1111 -0.9216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6314 -0.0689 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7533 -0.2967 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.8873 0.2033 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.8870 -0.7972 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.6194 0.2033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7373 -1.3382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9934 -0.3314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8873 1.2033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1162 0.4985 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.5294 -0.3036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3946 -1.2406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7391 1.2808 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.6194 1.2033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7533 1.7033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5294 1.7101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6353 -1.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5374 -1.3452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9934 1.7379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0873 0.1825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6258 -1.7605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8783 -0.9293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3106 -0.8891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3495 -2.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7373 2.7448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5508 -1.6101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2317 1.9860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0873 1.2241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5374 2.7517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1404 -2.7706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7492 2.8519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6756 0.9301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3511 -0.5627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6353 3.2725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1250 -2.9504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5683 2.7754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1356 -3.0779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6676 -0.3357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5956 -1.5812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5494 -1.9086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5337 -0.8637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5513 2.1050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8796 3.4061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7876 1.3968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3581 4.2827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3368 3.7909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1708 -3.9651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1566 -3.3103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1929 -2.4184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0989 -2.8538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9033 3.0743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3537 4.5802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0364 -4.4966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9409 0.6156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3914 2.0481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0759 0.6288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.4155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0999 -3.1603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0016 3.5419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3300 4.4815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0761 -3.9848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0805 -2.7937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1611 5.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1086 3.0581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0804 -4.1885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3534 4.5980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0320 1.9017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6517 0.7131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8583 1.9132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1530 -1.2079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3625 -3.5652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2507 -1.9860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8011 2.2466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9519 -0.2407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0983 2.5631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3277 1.4501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2232 -4.0706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9281 -0.4577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9839 3.2297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3039 1.2331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2810 3.5463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8721 -3.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2238 3.8796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6041 0.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2168 -4.1663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1581 -3.8344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4472 -5.0275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1710 -4.8171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3648 -5.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7583 -3.7044 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7843 -3.1109 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1687 -2.6005 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8652 -2.0679 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3326 -1.3714 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5328 -0.6976 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2724 1.8436 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1416 2.0415 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5137 2.3564 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1143 -1.0491 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5684 3.4364 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7230 1.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8098 3.9492 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1108 -3.7090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3533 -2.7973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3371 4.4891 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2093 0.1447 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2919 -4.7817 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9800 -5.4351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7225 -5.1003 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4400 -5.9946 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 26 1 0 0 0 0 1 76 1 0 0 0 0 2 27 1 0 0 0 0 2 77 1 0 0 0 0 3 26 2 0 0 0 0 4 27 2 0 0 0 0 5 75 1 0 0 0 0 5 87 1 0 0 0 0 6 75 2 0 0 0 0 7 37 1 0 0 0 0 7 43 2 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 8 12 1 0 0 0 0 9 10 1 0 0 0 0 9 13 1 0 0 0 0 9 14 1 0 0 0 0 10 26 1 0 0 0 0 10 27 1 0 0 0 0 11 16 1 0 0 0 0 11 19 2 0 0 0 0 12 17 1 0 0 0 0 12 22 2 0 0 0 0 13 17 1 0 0 0 0 13 25 2 0 0 0 0 14 20 2 0 0 0 0 14 24 1 0 0 0 0 15 16 1 0 0 0 0 15 18 1 0 0 0 0 15 21 1 0 0 0 0 15 43 1 0 0 0 0 16 23 2 0 0 0 0 17 29 2 0 0 0 0 18 28 1 0 0 0 0 18 32 1 0 0 0 0 18 37 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 20 30 1 0 0 0 0 21 34 2 0 0 0 0 22 23 1 0 0 0 0 22 35 1 0 0 0 0 23 31 1 0 0 0 0 24 33 1 0 0 0 0 24 36 2 0 0 0 0 25 33 1 0 0 0 0 25 38 1 0 0 0 0 28 31 1 0 0 0 0 28 45 2 0 0 0 0 29 40 1 0 0 0 0 29 44 1 0 0 0 0 30 36 1 0 0 0 0 30 39 2 0 0 0 0 31 42 2 0 0 0 0 32 41 1 0 0 0 0 32 46 2 0 0 0 0 33 47 2 0 0 0 0 34 39 1 0 0 0 0 34 41 1 0 0 0 0 35 40 2 0 0 0 0 35 42 1 0 0 0 0 36 48 1 0 0 0 0 37 73 1 0 0 0 0 37 74 1 0 0 0 0 38 44 2 0 0 0 0 38 49 1 0 0 0 0 39 50 1 0 0 0 0 40 52 1 0 0 0 0 41 51 2 0 0 0 0 42 53 1 0 0 0 0 43 75 1 0 0 0 0 44 54 1 0 0 0 0 45 46 1 0 0 0 0 45 55 1 0 0 0 0 46 59 1 0 0 0 0 47 49 1 0 0 0 0 47 56 1 0 0 0 0 48 56 2 0 0 0 0 48 57 1 0 0 0 0 49 61 2 0 0 0 0 50 51 1 0 0 0 0 50 57 2 0 0 0 0 51 60 1 0 0 0 0 52 54 2 0 0 0 0 52 58 1 0 0 0 0 53 55 2 0 0 0 0 53 58 1 0 0 0 0 54 62 1 0 0 0 0 55 63 1 0 0 0 0 56 64 1 0 0 0 0 57 65 1 0 0 0 0 58 66 2 0 0 0 0 59 60 2 0 0 0 0 59 67 1 0 0 0 0 60 68 1 0 0 0 0 61 62 1 0 0 0 0 61 69 1 0 0 0 0 62 70 2 0 0 0 0 63 66 1 0 0 0 0 63 67 2 0 0 0 0 64 65 2 0 0 0 0 64 69 1 0 0 0 0 65 68 1 0 0 0 0 66 70 1 0 0 0 0 67 71 1 0 0 0 0 68 71 2 0 0 0 0 69 72 2 0 0 0 0 70 72 1 0 0 0 0 71 72 1 0 0 0 0 73 79 2 0 0 0 0 73 81 1 0 0 0 0 74 78 2 0 0 0 0 74 80 1 0 0 0 0 76 82 1 0 0 0 0 76 95 1 0 0 0 0 76 96 1 0 0 0 0 77 97 1 0 0 0 0 77 98 1 0 0 0 0 77 99 1 0 0 0 0 78 84 1 0 0 0 0 78101 1 0 0 0 0 79 83 1 0 0 0 0 79100 1 0 0 0 0 80 86 2 0 0 0 0 80103 1 0 0 0 0 81 85 2 0 0 0 0 81102 1 0 0 0 0 82 90 1 0 0 0 0 82 92 2 0 0 0 0 83 89 2 0 0 0 0 83104 1 0 0 0 0 84 88 2 0 0 0 0 84105 1 0 0 0 0 85 89 1 0 0 0 0 85106 1 0 0 0 0 86 88 1 0 0 0 0 86107 1 0 0 0 0 87 91 1 0 0 0 0 87108 1 0 0 0 0 87109 1 0 0 0 0 88110 1 0 0 0 0 89111 1 0 0 0 0 90 91 2 0 0 0 0 90112 1 0 0 0 0 91 93 1 0 0 0 0 92 94 1 0 0 0 0 92113 1 0 0 0 0 93 94 2 0 0 0 0 93114 1 0 0 0 0 94115 1 0 0 0 0 M END > 16155076 > 0 > 4530 > 7 > 0 > 4 > AAADceB+OAAAAAAAAAAAAAAAGAAAAYMGDBgwYMGDBAAAAEABVAAAHgAAAAAADoihmAIyCMIABACoAyDyDASCAAAgAAAIiAEgDIgIJjaIsRmCMABl4AEIqAeY+fmfwAACAAAQAACAAAQAACAAAQAACAAAAA== > InChI=1S/C87H21NO6/c1-92-80(90)86-81(91)94-17-19-10-8-9-18(15-19)16-93-79(89)78-82-70-60-52-43-36-27-25-23-22-24-26-28(23)40-41-35(25)37(36)51-55(52)66-69(70)77-76(82)67-64-53-44-32(34-33(26)45-47(40)59-57(41)58(51)73(66)84(86)74(59)68-56(45)46(34)54(53)65(67)75(68)85(77,84)86)30(24)39-38-29(22)31(27)42-48(38)62-63(49(39)44)72(64)83(82,71(62)61(60)50(42)43)87(88-78,20-11-4-2-5-12-20)21-13-6-3-7-14-21/h2-15H,16-17H2,1H3 > JSEHSYLJBBIPRI-UHFFFAOYSA-N > 17.1 > 1175.136887 > C87H21NO6 > 1176.10074 > COC(=O)C12C(=O)OCC3=CC=CC(=C3)COC(=O)C4=NC(C56C47C8=C9C3=C4C%10=C%11C%12=C%13C%14=C%10C%10=C3C3=C9C5=C5C9=C3C3=C%15C9=C9C%16=C%17C%18=C%19C%20=C%16C%15=C(C%14=C3%10)C%20=C%13C3=C%19C%10=C%13C(=C3%12)C11C%11=C4C8=C3C12C%13=C1C(=C%18%10)C2=C(C1=C73)C6=C5C9=C%172)(C1=CC=CC=C1)C1=CC=CC=C1 > COC(=O)C12C(=O)OCC3=CC=CC(=C3)COC(=O)C4=NC(C56C47C8=C9C3=C4C%10=C%11C%12=C%13C%14=C%10C%10=C3C3=C9C5=C5C9=C3C3=C%15C9=C9C%16=C%17C%18=C%19C%20=C%16C%15=C(C%14=C3%10)C%20=C%13C3=C%19C%10=C%13C(=C3%12)C11C%11=C4C8=C3C12C%13=C1C(=C%18%10)C2=C(C1=C73)C6=C5C9=C%172)(C1=CC=CC=C1)C1=CC=CC=C1 > 91.3 > 1175.136887 > 0 > 94 > 0 > 5 > 0 > 0 > 0 > 1 > 1 > 1 5 255 > 10 27 3 11 16 8 11 19 8 12 17 8 12 22 8 13 17 8 13 25 8 14 20 8 14 24 8 15 21 3 16 23 8 17 29 8 18 37 3 19 20 8 19 21 8 20 30 8 21 34 8 22 23 8 22 35 8 23 31 8 24 33 8 24 36 8 25 33 8 25 38 8 28 31 8 28 45 8 29 40 8 29 44 8 30 36 8 30 39 8 31 42 8 32 41 8 32 46 8 33 47 8 34 39 8 34 41 8 35 40 8 35 42 8 36 48 8 38 44 8 38 49 8 39 50 8 40 52 8 41 51 8 42 53 8 44 54 8 45 46 8 45 55 8 46 59 8 47 49 8 47 56 8 48 56 8 48 57 8 49 61 8 50 51 8 50 57 8 51 60 8 52 54 8 52 58 8 53 55 8 53 58 8 54 62 8 55 63 8 56 64 8 57 65 8 58 66 8 59 60 8 59 67 8 60 68 8 61 62 8 61 69 8 62 70 8 63 66 8 63 67 8 64 65 8 64 69 8 65 68 8 66 70 8 67 71 8 68 71 8 69 72 8 70 72 8 71 72 8 73 79 8 73 81 8 74 78 8 74 80 8 78 84 8 79 83 8 8 12 3 80 86 8 81 85 8 82 90 8 82 92 8 83 89 8 84 88 8 85 89 8 86 88 8 9 14 3 90 91 8 91 93 8 92 94 8 93 94 8 $$$$