22835637 -OEChem-04162419062D 118154 0 1 0 0 0 0 0999 V2000 9.1671 4.7698 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7285 2.7593 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0307 0.8574 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 7.7798 0.8640 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 10.4751 0.9055 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.0729 -1.3605 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.2306 1.9240 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.2068 -0.8605 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.7389 0.1603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9389 -0.8605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0386 -1.0540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0889 -2.4020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2364 2.2539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2068 0.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8328 0.6742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9389 0.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2329 1.6211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2968 -1.3673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7389 -0.8813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8328 -1.3951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2722 -0.1018 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3211 -0.5326 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.4316 1.5834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0729 0.6395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2749 -1.7622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0770 -2.5091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7016 2.2756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2997 0.6344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0889 1.6810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7012 3.2932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2968 0.6464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7503 -0.2860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1909 -2.9297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0142 2.6524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7100 -0.1557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8262 0.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2888 -2.4089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9229 -2.7315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2552 -3.5413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1909 2.2088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6858 3.1134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2888 1.6880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3980 -4.4348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4681 -3.9399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7114 -5.2802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4725 -4.2374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7312 1.2686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2579 -2.4326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9388 2.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7953 -0.6318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6906 3.4206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2754 1.9529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7090 -4.9540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5085 -6.6671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4894 -3.4481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8168 2.3041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5945 -1.6432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8581 2.9585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5156 1.2319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6651 -5.0364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6546 -6.0753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7986 -4.4485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7273 3.1966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0892 0.2960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.3576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7387 -2.1902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6743 -3.8501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7112 -3.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0682 0.7219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1770 -0.5876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4357 0.0536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7798 2.0140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0827 1.8090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4859 1.7885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4016 0.1743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0997 -0.1983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0592 2.8958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4612 2.9337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6001 0.9088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2552 0.5756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9978 3.9812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7734 1.6148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0969 5.1782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1274 3.8331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9520 5.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9086 4.6707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9850 6.1224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1509 5.2916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1708 6.6671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2785 6.2629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2890 -0.9516 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5692 -1.3456 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8836 2.8683 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1235 2.4998 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2490 1.2524 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6797 0.6283 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9374 0.4225 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0669 -0.4447 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9341 -0.3152 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3998 2.0140 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7798 2.6340 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1598 2.0140 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4627 1.8064 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0964 1.6800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8284 0.6241 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7787 -0.7287 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4397 2.8716 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0664 3.0684 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0109 1.3731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7548 0.2095 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5225 5.6291 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9938 4.5668 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8699 4.3971 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6549 3.5074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5368 6.4053 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5744 5.0635 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2217 7.2850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7804 6.6322 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 8 14 1 0 0 0 0 8 18 1 0 0 0 0 8 28 1 0 0 0 0 9 15 2 0 0 0 0 9 19 1 0 0 0 0 10 16 1 0 0 0 0 10 20 2 0 0 0 0 11 25 1 0 0 0 0 11 32 2 0 0 0 0 12 26 2 0 0 0 0 12 33 1 0 0 0 0 13 23 1 0 0 0 0 13 30 2 0 0 0 0 14 24 1 0 0 0 0 14 31 2 0 0 0 0 15 16 1 0 0 0 0 15 23 1 0 0 0 0 16 24 2 0 0 0 0 17 34 2 0 0 0 0 17 36 1 0 0 0 0 18 35 1 0 0 0 0 18 37 2 0 0 0 0 19 20 1 0 0 0 0 19 25 2 0 0 0 0 20 26 1 0 0 0 0 21 69 1 0 0 0 0 21 91 1 1 0 0 0 22 70 1 0 0 0 0 22 92 1 6 0 0 0 23 29 2 0 0 0 0 24 29 1 0 0 0 0 25 38 1 0 0 0 0 26 39 1 0 0 0 0 27 93 1 0 0 0 0 27 94 1 0 0 0 0 28 95 1 0 0 0 0 28 96 1 0 0 0 0 29 40 1 0 0 0 0 30 34 1 0 0 0 0 30 41 1 0 0 0 0 31 35 1 0 0 0 0 31 42 1 0 0 0 0 32 36 1 0 0 0 0 32 43 1 0 0 0 0 33 37 1 0 0 0 0 33 44 2 0 0 0 0 34 49 1 0 0 0 0 35 50 2 0 0 0 0 36 47 2 0 0 0 0 37 48 1 0 0 0 0 38 39 2 0 0 0 0 38 45 1 0 0 0 0 39 46 1 0 0 0 0 40 41 1 0 0 0 0 40 42 2 0 0 0 0 41 51 2 0 0 0 0 42 52 1 0 0 0 0 43 45 2 0 0 0 0 43 54 1 0 0 0 0 44 46 1 0 0 0 0 44 55 1 0 0 0 0 45 53 1 0 0 0 0 46 53 2 0 0 0 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 86 1 0 0 0 0 85 87 2 0 0 0 0 86 88 2 0 0 0 0 87 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 > 22835637 > 1 > 5950 > 4 > 0 > 0 > AAADceB/MAAAAAAAAAAAAAAAAAAAAWLECBAwYMECAAAAAEABUAAAHgAAAAAADizhmAYyBoMABACAAiBCAACCCAAgIAAIiAAODIgMJiKEsRuGOCjkwBGIqAfQ0OMPoAAAAAAQAABAAAAAACAAAAAAAAAAAA== > 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)20-9-13-24(14-10-20)90-16-22-6-4-3-5-21(22)15-89-23-11-7-19(8-12-23)81(87)85(77,79)83/h3-14,81-82H,15-18H2,1-2H3/t81-,82-,83?,84?,85?,86?/m1/s1 > GRABDMNOEVMVOS-XQFMIXJASA-N > 17.8 > 1120.215078140 > C86H28N2O2 > 1121.1 > 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=C1COC1=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=C1COC1=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 > 1120.215078140 > 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 86 8 85 87 8 86 88 8 87 89 8 88 90 8 89 90 8 9 15 8 9 19 8 $$$$