16154971 -OEChem-05062419212D 118154 0 1 0 0 0 0 0999 V2000 15.0909 3.5341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9954 6.4392 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3833 -0.3011 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 7.7798 2.5167 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 11.0386 0.5988 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.0729 0.2923 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.8243 1.2173 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.2068 0.7923 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.2749 -0.1095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9389 0.7923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4751 2.5582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0889 -0.7492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3980 -2.7821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2068 1.7923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8262 2.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2968 0.2854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7389 0.7715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8328 0.2576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3840 -0.3396 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.3211 1.1201 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.7389 1.8131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0770 -0.8564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9229 -1.0787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9389 1.7923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6554 0.6612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2997 2.2872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7114 -3.6275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0729 2.2923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2306 3.5768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1909 -1.2770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8328 2.3269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2552 -1.8886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2329 3.2738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2888 -0.7562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5085 -5.0144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2968 2.2991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3273 -7.2265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7100 1.4970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4316 3.2362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4725 -2.5847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7090 -3.3012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0889 3.3338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2364 3.9066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4681 -2.2871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0142 4.3052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2579 -0.7799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6546 -4.4225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2888 3.3407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7012 4.9460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4894 -1.7954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6651 -3.3836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1909 3.8615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4412 -4.6017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7953 1.0210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6858 4.7662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7986 -2.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9388 4.4770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5945 0.0095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6743 -2.1973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2754 3.6057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.2952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5156 2.8847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6906 5.0734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7112 -1.5528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6696 5.3058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7387 -0.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7273 4.8494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0892 1.9488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5521 -0.1300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7483 2.1595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0019 -1.0868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8605 2.9100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3166 0.7268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5978 0.4311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9324 3.2929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5256 3.3251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1105 1.5565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4183 1.2885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0768 4.4321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6748 4.5024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9329 2.3579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1814 5.5756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8769 4.7014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0369 7.0081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3119 5.7450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2034 7.2265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4514 6.5622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2587 6.2025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3801 7.0728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2221 6.6966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6777 -1.1373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0294 1.5900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2311 0.4311 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9445 1.2097 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2490 2.9051 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6797 2.2810 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5147 -1.4703 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3854 -1.5740 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4890 -0.7033 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0725 2.3274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4431 3.1221 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6484 3.4927 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8612 1.1476 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9730 -0.0625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5460 3.2042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9058 3.3057 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6701 1.9929 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9279 0.9354 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6931 4.3649 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0796 4.6759 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4795 4.5556 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2922 4.4953 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1804 7.6112 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2451 6.4241 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8026 7.0732 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0018 5.6383 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5558 7.6674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9456 6.1416 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 2 0 0 0 0 9 23 1 0 0 0 0 10 18 1 0 0 0 0 10 24 2 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 1 0 0 0 0 18 22 2 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 1 0 0 0 21 31 2 0 0 0 0 22 32 1 0 0 0 0 23 27 1 0 0 0 0 23 32 2 0 0 0 0 24 28 1 0 0 0 0 24 31 1 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 42 2 0 0 0 0 39 43 1 0 0 0 0 40 41 2 0 0 0 0 40 44 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 55 1 0 0 0 0 50 56 1 0 0 0 0 51 56 2 0 0 0 0 52 55 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 64 1 0 0 0 0 60 62 2 0 0 0 0 60 63 1 0 0 0 0 61 67 1 0 0 0 0 62 68 1 0 0 0 0 63 65 2 0 0 0 0 64 66 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 2 0 0 0 0 85 88 1 0 0 0 0 86 89 2 0 0 0 0 86 90 1 0 0 0 0 87 89 1 0 0 0 0 87115 1 0 0 0 0 88 90 2 0 0 0 0 88116 1 0 0 0 0 89117 1 0 0 0 0 90118 1 0 0 0 0 M END > 16154971 > 1 > 3560 > 4 > 0 > 0 > AAADceB/MAAAAAAAAAAAAAAAAAAAAePGDBgwYMGDAAAAAFgBVAAAHgAAAAAADizhmAYyBsMABACAAiBCAACCCAAgIAAIiAAODIgMJiKEsRuGOCjkwBGIqAeQ0PMP4AACAAAQAADAAAQAACAAAQAACAAAAA== > 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)22-9-13-24(14-10-22)90-16-20-5-3-19(4-6-20)15-89-23-11-7-21(8-12-23)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 > ONFRPPAPJONSRK-HWOAXINESA-N > 18.6 > 1120.215078140 > C86H28N2O2 > 1121.1 > CN1CC23C4=C5C6=C7C8=C9C%10=C%11C%12=C%13C%14=C%10C7=C4C%14=C4C22C1C1=CC=C(C=C1)OCC1=CC=C(COC7=CC=C(C=C7)C7C%10%14C%15=C%16C%17=C%18C%19=C%20C%21=C%17C%17=C%22C%21=C3C5=C%20C3=C6C8=C5C(=C%193)C3=C6C5=C9C%11=C5C6=C(C%16=C3%18)C%10(C5=C%12C3=C%14C(=C%17%15)C(=C2%22)C4=C%133)CN7C)C=C1 > 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=C(COC7=CC=C(C=C7)[C@H]7C%10%14C%15=C%16C%17=C%18C%19=C%20C%21=C%17C%17=C%22C%21=C3C5=C%20C3=C6C8=C5C(=C%193)C3=C6C5=C9C%11=C5C6=C(C%16=C3%18)C%10(C5=C%12C3=C%14C(=C%17%15)C(=C2%22)C4=C%133)CN7C)C=C1 > 24.9 > 1120.215078140 > 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 5 21 31 8 22 32 8 23 27 8 23 32 8 24 28 8 24 31 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 42 8 39 43 8 40 41 8 40 44 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 55 8 5 11 3 50 56 8 51 56 8 52 55 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 64 8 6 12 3 60 62 8 60 63 8 61 67 8 62 68 8 63 65 8 64 66 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 89 8 86 90 8 87 89 8 88 90 8 9 17 8 9 23 8 $$$$