16156495 -OEChem-06191311382D 118154 0 1 0 0 0 0 0999 V2000 13.9792 -1.7668 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9305 -4.5066 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0307 2.8027 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 7.7798 2.8093 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 10.4751 2.8508 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.0729 0.5848 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.2306 3.8693 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.2068 1.0848 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.7389 2.1056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9389 1.0848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0386 0.8913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0889 -0.4567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2364 4.1992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2068 2.0848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8328 2.6195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9389 2.0848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2329 3.5664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2968 0.5780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7389 1.0640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8328 0.5502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2722 1.8435 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.3211 1.4127 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.4316 3.5287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0729 2.5848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2749 0.1831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0770 -0.5638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7016 4.2209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2997 2.5797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0889 3.6263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7012 5.2386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2968 2.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7503 1.6593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1909 -0.9844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0142 4.5977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7100 1.7896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8262 2.7036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2888 -0.4636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9229 -0.7862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2552 -1.5960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1909 4.1541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6858 5.0587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2888 3.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3980 -2.4895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4681 -1.9946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7114 -3.3349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4725 -2.2921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7312 3.2139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2579 -0.4873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9388 4.7696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7953 1.3135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6906 5.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2754 3.8982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7090 -3.0087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5085 -4.7218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4894 -1.5028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8168 4.2494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5945 0.3021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8581 4.9038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5156 3.1772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6651 -3.0911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6546 -4.1300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7986 -2.5032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7273 5.1419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0892 2.2413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.5877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7387 -0.2449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6743 -1.9048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7112 -1.2603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6377 1.9743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3222 0.4726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0583 2.5693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2798 3.6753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9561 1.5960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6476 1.1421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2817 -0.8355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7370 -0.7680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0445 0.7612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6861 0.3456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1955 -2.1413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6467 -2.1367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7516 -0.4141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0638 -3.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6957 -3.1089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1264 -5.1785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9404 -4.2539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4852 -5.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8182 -5.0428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1837 -3.6074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4982 -4.3708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1896 -3.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5081 2.6601 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5110 1.6701 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8836 4.8136 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1235 4.4450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2490 3.1977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6797 2.5736 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9136 3.1722 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4554 2.4246 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2030 1.9664 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8168 3.3653 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5898 4.2122 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7429 3.9853 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2352 2.1497 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2618 0.6568 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9010 -0.8655 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1368 -0.6126 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5069 1.1743 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3174 -0.1529 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8134 -2.1929 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0313 -2.2119 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0401 -3.6244 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1236 -2.8699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6366 -5.5588 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3240 -4.5909 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0740 -5.6075 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3844 -3.0208 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9249 -4.1348 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9338 -3.0902 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 81 1 0 0 0 0 1 83 1 0 0 0 0 2 82 1 0 0 0 0 2 84 1 0 0 0 0 3 21 1 0 0 0 0 3 27 1 0 0 0 0 3 71 1 0 0 0 0 4 22 1 0 0 0 0 4 28 1 0 0 0 0 4 72 1 0 0 0 0 5 7 1 0 0 0 0 5 9 1 0 0 0 0 5 11 1 0 0 0 0 5 21 1 0 0 0 0 6 8 1 0 0 0 0 6 10 1 0 0 0 0 6 12 1 0 0 0 0 6 22 1 0 0 0 0 7 13 1 0 0 0 0 7 17 1 0 0 0 0 7 27 1 0 0 0 0 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0 47 54 1 0 0 0 0 47 56 1 0 0 0 0 48 55 2 0 0 0 0 48 57 1 0 0 0 0 49 56 1 0 0 0 0 49 58 2 0 0 0 0 50 57 1 0 0 0 0 50 59 1 0 0 0 0 51 52 1 0 0 0 0 51 58 1 0 0 0 0 52 59 2 0 0 0 0 53 60 1 0 0 0 0 54 61 2 0 0 0 0 55 62 1 0 0 0 0 56 65 2 0 0 0 0 57 66 2 0 0 0 0 58 63 1 0 0 0 0 59 64 1 0 0 0 0 60 61 1 0 0 0 0 60 62 2 0 0 0 0 61 67 1 0 0 0 0 62 68 1 0 0 0 0 63 64 2 0 0 0 0 63 65 1 0 0 0 0 64 66 1 0 0 0 0 65 67 1 0 0 0 0 66 68 1 0 0 0 0 67 68 2 0 0 0 0 69 73 2 0 0 0 0 69 74 1 0 0 0 0 70 75 2 0 0 0 0 70 76 1 0 0 0 0 71 97 1 0 0 0 0 71 98 1 0 0 0 0 71 99 1 0 0 0 0 72100 1 0 0 0 0 72101 1 0 0 0 0 72102 1 0 0 0 0 73 77 1 0 0 0 0 73103 1 0 0 0 0 74 78 2 0 0 0 0 74104 1 0 0 0 0 75 79 1 0 0 0 0 75105 1 0 0 0 0 76 80 2 0 0 0 0 76106 1 0 0 0 0 77 81 2 0 0 0 0 77107 1 0 0 0 0 78 81 1 0 0 0 0 78108 1 0 0 0 0 79 82 2 0 0 0 0 79109 1 0 0 0 0 80 82 1 0 0 0 0 80110 1 0 0 0 0 83 85 1 0 0 0 0 83111 1 0 0 0 0 83112 1 0 0 0 0 84 86 1 0 0 0 0 84113 1 0 0 0 0 84114 1 0 0 0 0 85 87 1 0 0 0 0 85 88 2 0 0 0 0 86 87 2 0 0 0 0 86 89 1 0 0 0 0 87115 1 0 0 0 0 88 90 1 0 0 0 0 88116 1 0 0 0 0 89 90 2 0 0 0 0 89117 1 0 0 0 0 90118 1 0 0 0 0 M END > 16156495 > 0 > 5950 > 4 > 0 > 0 > AAADceB/MAAAAAAAAAAAAAAAAAAAAWLECBAwYMECAAAAAEABUAAAHgAAAAAADizhmAYyBoMABACAAiBCAACCCAAgIAAIiAAODIgMJiKEsRuGOCjkwBGIqAeQ8OsPoAACAAAAAABAAAQAAAAAAAAAAAAAAA== > InChI=1S/C86H28N2O2/c1-87-17-83-73-57-46-35-28-29-33-26-25-30-27-31(26)42-51-40(33)47-36(29)38-37(35)48-45-49(38)60-58(47)74-62(51)66-53(42)44-34(27)43-52-41(30)50(39(46)32(25)28)61(73)65(52)77-67-54(43)55(44)68-72-71(67)79-69-63(75(83)59(48)57)56(45)64-70(69)80(72)86(78(66)68)82(88(2)18-84(74,86)76(60)64)22-8-12-24(13-9-22)90-16-20-5-3-4-19(14-20)15-89-23-10-6-21(7-11-23)81(87)85(77,79)83/h3-14,81-82H,15-18H2,1-2H3/t81-,82-,83?,84?,85?,86?/m0/s1 > VKBULZRMDAXUCW-HWOAXINESA-N > 17.8 > 1120.215078 > C86H28N2O2 > 1121.15472 > CN1CC23C4=C5C6=C7C8=C9C%10=C%11C%12=C%13C9=C9C7=C5C5=C7C9=C%13C9=C%13C7=C7C52C1C1=CC=C(C=C1)OCC1=CC(=CC=C1)COC1=CC=C(C=C1)C1C25C9=C%12C9=C%11C%11=C%12C%10=C8C8=C6C6=C4C4=C3C3=C7C(=C%132)C2=C3C3=C4C4=C6C8=C%12C6=C%11C7=C9C5(C2=C7C3=C46)CN1C > CN1CC23C4=C5C6=C7C8=C9C%10=C%11C%12=C%13C9=C9C7=C5C5=C7C9=C%13C9=C%13C7=C7C52[C@@H]1C1=CC=C(C=C1)OCC1=CC(=CC=C1)COC1=CC=C(C=C1)[C@H]1C25C9=C%12C9=C%11C%11=C%12C%10=C8C8=C6C6=C4C4=C3C3=C7C(=C%132)C2=C3C3=C4C4=C6C8=C%12C6=C%11C7=C9C5(C2=C7C3=C46)CN1C > 24.9 > 1120.215078 > 0 > 90 > 2 > 4 > 0 > 0 > 0 > 1 > 1 > 1 5 255 > 10 16 8 10 20 8 11 25 8 11 32 8 12 26 8 12 33 8 13 23 8 13 30 8 14 24 8 14 31 8 15 16 8 15 23 8 16 24 8 17 34 8 17 36 8 18 35 8 18 37 8 19 20 8 19 25 8 20 26 8 21 91 5 22 92 6 23 29 8 24 29 8 25 38 8 26 39 8 29 40 8 30 34 8 30 41 8 31 35 8 31 42 8 32 36 8 32 43 8 33 37 8 33 44 8 34 49 8 35 50 8 36 47 8 37 48 8 38 39 8 38 45 8 39 46 8 40 41 8 40 42 8 41 51 8 42 52 8 43 45 8 43 54 8 44 46 8 44 55 8 45 53 8 46 53 8 47 54 8 47 56 8 48 55 8 48 57 8 49 56 8 49 58 8 5 11 3 50 57 8 50 59 8 51 52 8 51 58 8 52 59 8 53 60 8 54 61 8 55 62 8 56 65 8 57 66 8 58 63 8 59 64 8 6 12 3 60 61 8 60 62 8 61 67 8 62 68 8 63 64 8 63 65 8 64 66 8 65 67 8 66 68 8 67 68 8 69 73 8 69 74 8 7 27 3 70 75 8 70 76 8 73 77 8 74 78 8 75 79 8 76 80 8 77 81 8 78 81 8 79 82 8 8 28 3 80 82 8 85 87 8 85 88 8 86 87 8 86 89 8 88 90 8 89 90 8 9 15 8 9 19 8 $$$$