16155633 -OEChem-06191314182D 118154 0 1 0 0 0 0 0999 V2000 13.7325 3.4664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4747 5.4956 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3833 0.1156 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 7.7798 2.9334 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 11.0386 1.0155 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.0729 0.7090 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.8243 1.6340 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.2068 1.2090 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.2749 0.3072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9389 1.2090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4751 2.9749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0889 -0.3325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3980 -2.3654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2068 2.2090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8262 2.8278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2968 0.7021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7389 1.1882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8328 0.6743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3840 0.0770 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.3211 1.5368 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.7389 2.2298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0770 -0.4397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9229 -0.6620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9389 2.2090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6554 1.0779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2997 2.7039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7114 -3.2108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0729 2.7090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2306 3.9935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1909 -0.8603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2552 -1.4719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8328 2.7436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2329 3.6906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2888 -0.3395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5085 -4.5977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2968 2.7158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3273 -6.8098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7100 1.9137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4725 -2.1680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4316 3.6528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7090 -2.8845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0889 3.7505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2364 4.3233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4681 -1.8704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0142 4.7219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2579 -0.3632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6546 -4.0058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2888 3.7574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7012 5.3627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4894 -1.3787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6651 -2.9669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1909 4.2782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4412 -4.1851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7953 1.4377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7986 -2.3791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6858 5.1829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9388 4.8937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5945 0.4262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6743 -1.7806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2754 4.0224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.7119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5156 3.3014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7112 -1.1361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6906 5.4901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6696 5.7225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7387 -0.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7273 5.2661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0892 2.3655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2460 0.3772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0113 2.3954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0019 -0.6701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2798 3.7994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9726 0.9295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2570 1.3740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9827 3.3076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7788 3.0318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4924 1.6797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8248 2.1935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2381 4.1838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0577 3.9889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7543 2.5540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7523 4.9379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4292 4.3272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3344 5.8022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8742 5.0517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2467 5.8274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1220 5.5687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2941 5.9765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7005 6.7360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7135 6.8098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6777 -0.7206 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0294 2.0067 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2311 0.8478 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9445 1.6264 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2490 3.3218 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6797 2.6977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5147 -1.0536 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3854 -1.1573 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4890 -0.2866 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8168 3.4894 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5898 4.3364 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7429 4.1094 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4205 0.5008 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6662 1.5623 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3677 3.3856 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2970 2.6914 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0511 1.4108 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4410 2.6805 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6774 4.4485 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6776 3.9975 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0472 4.2778 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8840 4.0320 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5707 6.3754 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4485 5.1928 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3888 6.1284 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9116 6.0329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3555 7.2511 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9802 7.3694 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 19 1 0 0 0 0 3 25 1 0 0 0 0 3 71 1 0 0 0 0 4 20 1 0 0 0 0 4 26 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 19 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 20 1 0 0 0 0 7 13 1 0 0 0 0 7 15 1 0 0 0 0 7 25 1 0 0 0 0 8 14 1 0 0 0 0 8 16 1 0 0 0 0 8 26 1 0 0 0 0 9 17 1 0 0 0 0 9 23 2 0 0 0 0 10 18 2 0 0 0 0 10 24 1 0 0 0 0 11 21 1 0 0 0 0 11 29 2 0 0 0 0 12 22 1 0 0 0 0 12 30 2 0 0 0 0 13 27 2 0 0 0 0 13 35 1 0 0 0 0 14 28 2 0 0 0 0 14 36 1 0 0 0 0 15 33 1 0 0 0 0 15 37 2 0 0 0 0 16 34 1 0 0 0 0 16 38 2 0 0 0 0 17 18 1 0 0 0 0 17 21 2 0 0 0 0 18 22 1 0 0 0 0 19 69 1 0 0 0 0 19 91 1 1 0 0 0 20 70 1 0 0 0 0 20 92 1 6 0 0 0 21 32 1 0 0 0 0 22 31 2 0 0 0 0 23 27 1 0 0 0 0 23 31 1 0 0 0 0 24 28 1 0 0 0 0 24 32 2 0 0 0 0 25 93 1 0 0 0 0 25 94 1 0 0 0 0 26 95 1 0 0 0 0 26 96 1 0 0 0 0 27 41 1 0 0 0 0 28 42 1 0 0 0 0 29 33 1 0 0 0 0 29 43 1 0 0 0 0 30 34 1 0 0 0 0 30 44 1 0 0 0 0 31 39 1 0 0 0 0 32 40 1 0 0 0 0 33 45 2 0 0 0 0 34 46 2 0 0 0 0 35 37 1 0 0 0 0 35 47 2 0 0 0 0 36 38 1 0 0 0 0 36 48 2 0 0 0 0 37 53 1 0 0 0 0 38 54 1 0 0 0 0 39 41 2 0 0 0 0 39 44 1 0 0 0 0 40 42 2 0 0 0 0 40 43 1 0 0 0 0 41 51 1 0 0 0 0 42 52 1 0 0 0 0 43 49 2 0 0 0 0 44 50 2 0 0 0 0 45 49 1 0 0 0 0 45 57 1 0 0 0 0 46 50 1 0 0 0 0 46 58 1 0 0 0 0 47 51 1 0 0 0 0 47 59 1 0 0 0 0 48 52 1 0 0 0 0 48 60 1 0 0 0 0 49 56 1 0 0 0 0 50 55 1 0 0 0 0 51 55 2 0 0 0 0 52 56 2 0 0 0 0 53 57 2 0 0 0 0 53 61 1 0 0 0 0 54 58 2 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 1 0 0 0 0 59 61 2 0 0 0 0 59 63 1 0 0 0 0 60 62 2 0 0 0 0 60 64 1 0 0 0 0 61 67 1 0 0 0 0 62 68 1 0 0 0 0 63 66 2 0 0 0 0 64 65 2 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 > 16155633 > 0 > 3570 > 4 > 0 > 0 > AAADceB/MAAAAAAAAAAAAAAAAAAAAePGDBgwYMGDAAAAAFgBVAAAHgAAAAAADizhmAYyBsMABACAAiBCAACCCAAgIAAIiAAODIgMJiKEsRuGOCjkwBGIqAeQ8OsP4AACAAAQAADAAAQAACAAAQAACAAAAA== > InChI=1S/C86H28N2O2/c1-87-17-83-73-57-45-33-25-26-30-27-31-39-47(35(27)33)59(57)75(83)63-51(39)43-54-42(31)50-38(30)46-34(26)36-28-29(25)37(45)49-41-32(28)40-48(36)60-58(46)74-62(50)66(54)78-70-55(43)67(63)79-71-69-56-44-52(40)64-68(56)80(72(70)71)86(78)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(79,83)77(69)65(53(41)44)61(49)73/h3-14,81-82H,15-18H2,1-2H3/t81-,82-,83?,84?,85?,86?/m0/s1 > FBOZZOHLBDPGLL-HWOAXINESA-N > 18.8 > 1120.215078 > C86H28N2O2 > 1121.15472 > CN1CC23C4=C5C6=C7C8=C9C%10=C%11C%12=C%13C%14=C%10C7=C4C%14=C4C22C1C1=CC=C(C=C1)OCC1=CC(=CC=C1)COC1=CC=C(C=C1)C1C7%10C%14=C%15C%16=C%17C%18=C%19C%20=C%16C%16=C%21C%20=C3C5=C%19C3=C6C8=C5C(=C%183)C3=C6C5=C9C%11=C5C6=C(C%15=C3%17)C7(C5=C%12C3=C%10C(=C%16%14)C(=C2%21)C4=C%133)CN1C > CN1CC23C4=C5C6=C7C8=C9C%10=C%11C%12=C%13C%14=C%10C7=C4C%14=C4C22[C@@H]1C1=CC=C(C=C1)OCC1=CC(=CC=C1)COC1=CC=C(C=C1)[C@H]1C7%10C%14=C%15C%16=C%17C%18=C%19C%20=C%16C%16=C%21C%20=C3C5=C%19C3=C6C8=C5C(=C%183)C3=C6C5=C9C%11=C5C6=C(C%15=C3%17)C7(C5=C%12C3=C%10C(=C%16%14)C(=C2%21)C4=C%133)CN1C > 24.9 > 1120.215078 > 0 > 90 > 2 > 4 > 0 > 0 > 0 > 1 > 1 > 1 5 255 > 10 18 8 10 24 8 11 21 8 11 29 8 12 22 8 12 30 8 13 27 8 13 35 8 14 28 8 14 36 8 15 33 8 15 37 8 16 34 8 16 38 8 17 18 8 17 21 8 18 22 8 19 91 5 20 92 6 21 32 8 22 31 8 23 27 8 23 31 8 24 28 8 24 32 8 27 41 8 28 42 8 29 33 8 29 43 8 30 34 8 30 44 8 31 39 8 32 40 8 33 45 8 34 46 8 35 37 8 35 47 8 36 38 8 36 48 8 37 53 8 38 54 8 39 41 8 39 44 8 40 42 8 40 43 8 41 51 8 42 52 8 43 49 8 44 50 8 45 49 8 45 57 8 46 50 8 46 58 8 47 51 8 47 59 8 48 52 8 48 60 8 49 56 8 5 11 3 50 55 8 51 55 8 52 56 8 53 57 8 53 61 8 54 58 8 54 62 8 55 63 8 56 64 8 57 65 8 58 66 8 59 61 8 59 63 8 6 12 3 60 62 8 60 64 8 61 67 8 62 68 8 63 66 8 64 65 8 65 67 8 66 68 8 67 68 8 69 73 8 69 74 8 7 25 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 26 3 80 82 8 85 87 8 85 88 8 86 87 8 86 89 8 88 90 8 89 90 8 9 17 8 9 23 8 $$$$