16156610 -OEChem-05231302522D 121159 0 1 0 0 0 0 0999 V2000 12.5551 3.7597 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1035 -0.9333 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.8859 1.7530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5271 -1.1909 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.6611 -0.6909 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.9300 2.7520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6608 -1.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7731 2.2143 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.2871 0.8438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5432 1.8506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3932 -0.6909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6611 0.3091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3932 0.3091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5271 0.8091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5432 -2.2324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7511 -1.1977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6849 2.0936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1554 3.4628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1932 0.3299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6451 2.3784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2871 -1.2256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7511 0.8160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2518 -2.5659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9293 1.0751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1401 3.2830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7575 1.8335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5312 -2.3395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1643 0.0139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6451 -2.7602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7431 -2.2393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1932 -0.7117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7431 1.8576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1276 2.9829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1096 4.4775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1010 -0.8628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7180 3.2128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4928 -0.8844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1449 3.5902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7291 -1.5926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7297 2.1225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7094 -3.3718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2496 -0.4622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9224 -3.7703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7122 -2.2630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2804 0.9279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2441 5.0090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3772 -2.5619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9698 1.4015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2046 -0.1164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3184 4.5910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9267 -4.0678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0487 -1.4736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9437 -3.2785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1219 -3.1633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2067 4.7373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2583 5.1106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1657 -5.1106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5434 0.4656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5341 1.1187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8522 -4.2652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1816 3.3662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1632 -4.7844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1930 -2.0206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9902 -3.6286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1069 -4.1687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4542 -1.1880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1194 -4.8668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1654 -3.0360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3085 -3.1680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5862 -2.1980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1503 -3.4006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9949 0.1692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5436 -0.1047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1942 -3.2447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0761 -0.8831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7939 -2.4358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1085 -2.7175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4214 -1.6483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7663 -1.8921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5548 -0.1808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9831 0.7843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9888 0.6436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4431 1.6161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1238 -1.0832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4522 1.5765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9919 0.5657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1269 -1.1611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5609 -0.3367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8693 2.4398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3892 1.4152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8308 2.3586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5723 -0.4153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4041 1.3003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.3946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6436 -2.6864 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6918 -2.1291 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3215 2.0909 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4300 1.3071 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3723 -0.3053 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1648 3.4927 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6001 -3.4981 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3714 -2.5957 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1532 1.1517 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0365 0.7488 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7874 -3.9032 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1747 -2.7810 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5831 -0.0268 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3965 0.0071 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3023 -2.0579 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5129 -3.1875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9434 -1.2535 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3147 -2.1814 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6020 0.8204 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7280 2.1667 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4748 -1.5943 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8597 -1.7206 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1386 2.9982 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4779 2.8684 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3093 -0.9767 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0371 1.7999 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3830 0.3342 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 36 2 0 0 0 0 2 35 2 0 0 0 0 2 73 1 0 0 0 0 3 6 1 0 0 0 0 3 8 1 0 0 0 0 3 9 1 0 0 0 0 3 10 1 0 0 0 0 4 5 1 0 0 0 0 4 7 1 0 0 0 0 4 11 1 0 0 0 0 4 15 1 0 0 0 0 5 7 1 0 0 0 0 5 12 1 0 0 0 0 5 16 1 0 0 0 0 6 8 1 0 0 0 0 6 17 1 0 0 0 0 6 18 1 0 0 0 0 7 23 1 0 0 0 0 7 35 1 0 0 0 0 8 26 1 0 0 0 0 8 36 1 0 0 0 0 9 13 1 0 0 0 0 9 19 2 0 0 0 0 10 14 1 0 0 0 0 10 20 2 0 0 0 0 11 13 2 0 0 0 0 11 21 1 0 0 0 0 12 14 2 0 0 0 0 12 22 1 0 0 0 0 13 14 1 0 0 0 0 15 27 2 0 0 0 0 15 29 1 0 0 0 0 16 28 1 0 0 0 0 16 30 2 0 0 0 0 17 24 1 0 0 0 0 17 33 2 0 0 0 0 18 25 1 0 0 0 0 18 34 2 0 0 0 0 19 24 1 0 0 0 0 19 31 1 0 0 0 0 20 25 1 0 0 0 0 20 32 1 0 0 0 0 21 27 1 0 0 0 0 21 31 2 0 0 0 0 22 28 2 0 0 0 0 22 32 1 0 0 0 0 23 54 1 0 0 0 0 23 95 1 0 0 0 0 23 96 1 0 0 0 0 24 37 2 0 0 0 0 25 38 2 0 0 0 0 26 59 1 0 0 0 0 26 97 1 0 0 0 0 26 98 1 0 0 0 0 27 41 1 0 0 0 0 28 42 1 0 0 0 0 29 30 1 0 0 0 0 29 43 2 0 0 0 0 30 44 1 0 0 0 0 31 39 1 0 0 0 0 32 40 2 0 0 0 0 33 34 1 0 0 0 0 33 45 1 0 0 0 0 34 46 1 0 0 0 0 35 99 1 0 0 0 0 36100 1 0 0 0 0 37 39 1 0 0 0 0 37 49 1 0 0 0 0 38 40 1 0 0 0 0 38 50 1 0 0 0 0 39 47 2 0 0 0 0 40 48 1 0 0 0 0 41 47 1 0 0 0 0 41 51 2 0 0 0 0 42 48 1 0 0 0 0 42 52 2 0 0 0 0 43 51 1 0 0 0 0 43 53 1 0 0 0 0 44 52 1 0 0 0 0 44 53 2 0 0 0 0 45 49 2 0 0 0 0 45 55 1 0 0 0 0 46 50 2 0 0 0 0 46 56 1 0 0 0 0 47 57 1 0 0 0 0 48 58 2 0 0 0 0 49 60 1 0 0 0 0 50 61 1 0 0 0 0 51 62 1 0 0 0 0 52 63 1 0 0 0 0 53 64 1 0 0 0 0 54 71 1 0 0 0 0 54101 1 0 0 0 0 54102 1 0 0 0 0 55 56 2 0 0 0 0 55 65 1 0 0 0 0 56 66 1 0 0 0 0 57 60 1 0 0 0 0 57 62 2 0 0 0 0 58 61 1 0 0 0 0 58 63 1 0 0 0 0 59 72 1 0 0 0 0 59103 1 0 0 0 0 59104 1 0 0 0 0 60 65 2 0 0 0 0 61 66 2 0 0 0 0 62 67 1 0 0 0 0 63 68 2 0 0 0 0 64 67 2 0 0 0 0 64 68 1 0 0 0 0 65 69 1 0 0 0 0 66 70 1 0 0 0 0 67 69 1 0 0 0 0 68 70 1 0 0 0 0 69 70 2 0 0 0 0 71 74 1 0 0 0 0 71105 1 0 0 0 0 71106 1 0 0 0 0 72 75 1 0 0 0 0 72107 1 0 0 0 0 72108 1 0 0 0 0 73 80 2 0 0 0 0 73 81 1 0 0 0 0 74 76 2 0 0 0 0 74 77 1 0 0 0 0 75 78 2 0 0 0 0 75 79 1 0 0 0 0 76 78 1 0 0 0 0 76109 1 0 0 0 0 77 79 2 0 0 0 0 77110 1 0 0 0 0 78111 1 0 0 0 0 79112 1 0 0 0 0 80 82 1 0 0 0 0 80 84 1 0 0 0 0 81 83 2 0 0 0 0 81113 1 0 0 0 0 82 85 2 0 0 0 0 82 86 1 0 0 0 0 83 85 1 0 0 0 0 83114 1 0 0 0 0 84 87 2 0 0 0 0 84115 1 0 0 0 0 85 89 1 0 0 0 0 86 88 1 0 0 0 0 86 90 2 0 0 0 0 87 88 1 0 0 0 0 87116 1 0 0 0 0 88 92 2 0 0 0 0 89 91 2 0 0 0 0 89117 1 0 0 0 0 90 91 1 0 0 0 0 90 93 1 0 0 0 0 91118 1 0 0 0 0 92 94 1 0 0 0 0 92119 1 0 0 0 0 93 94 2 0 0 0 0 93120 1 0 0 0 0 94121 1 0 0 0 0 M END > 16156610 > 0 > 5130 > 2 > 0 > 3 > AAADceB+IAAAAAAAAAAAAAAAGDAAAYMGDBAwYMGDBggAAADBVAAAHgAAAAAADgjhmAYwwMIAAACoAjxzxACCAAAgAgAIiAEgZIgIIDKAkZGAIABggAAIyAcYiMCPyAACQAASAACQAASAACQAAQAACAAAAA== > InChI=1S/C92H27NO/c94-21-88-19-3-5-23-10-8-22(9-11-23)4-2-18-87(20-93-28-17-15-26-13-12-24-6-1-7-25-14-16-27(28)30(26)29(24)25)89-79-65-59-48-40-33-31-32-34-39(33)52(59)60-49-41(34)38-43-36(32)45-44-35(31)42-37(40)46-53-61-50(42)55(44)67-68-56(45)51(43)62-54-47(38)58(49)70-74-64(54)76-72(62)82(68)91(88)81(67)71(61)75-63(53)73(69(79)57(46)48)83(89)77-78(86(76)92(88,91)85(75)77)84(74)90(87,89)80(70)66(60)65/h1,6-17,20-21H,2-5,18-19H2 > GULZBSWUCVOUIN-UHFFFAOYSA-N > 18.9 > 1161.209264 > C92H27NO > 1162.20488 > C1CC2=CC=C(CCCC3(C45C36C7=C8C9=C3C%10=C%11C%12=C%13C%14=C%15C%16=C%13C%13=C%17C%12=C%10C%10=C9C9=C7C7=C%12C%18=C%19C%20=C%21C(=C%16C%16=C%21C%18=C%18C%12%12C9(C%10=C%17C%18=C%16%13)C%12(C1)C=NC1=C9C=CC%10=CC=CC%12=C%10C9=C(C=C%12)C=C1)C1=C%15C9=C%10C%14=C%11C%11=C%10C(=C4C8=C%113)C3=C5C(=C%20C1=C93)C%19=C67)C=O)C=C2 > C1CC2=CC=C(CCCC3(C45C36C7=C8C9=C3C%10=C%11C%12=C%13C%14=C%15C%16=C%13C%13=C%17C%12=C%10C%10=C9C9=C7C7=C%12C%18=C%19C%20=C%21C(=C%16C%16=C%21C%18=C%18C%12%12C9(C%10=C%17C%18=C%16%13)C%12(C1)C=NC1=C9C=CC%10=CC=CC%12=C%10C9=C(C=C%12)C=C1)C1=C%15C9=C%10C%14=C%11C%11=C%10C(=C4C8=C%113)C3=C5C(=C%20C1=C93)C%19=C67)C=O)C=C2 > 29.4 > 1161.209264 > 0 > 94 > 0 > 3 > 0 > 0 > 0 > 1 > 1 > 1 5 255 > 10 14 8 10 20 8 11 13 8 11 21 8 12 14 8 12 22 8 13 14 8 15 27 8 15 29 8 16 28 8 16 30 8 17 24 8 17 33 8 18 25 8 18 34 8 19 24 8 19 31 8 20 25 8 20 32 8 21 27 8 21 31 8 22 28 8 22 32 8 24 37 8 25 38 8 27 41 8 28 42 8 29 30 8 29 43 8 30 44 8 31 39 8 32 40 8 33 34 8 33 45 8 34 46 8 37 39 8 37 49 8 38 40 8 38 50 8 39 47 8 4 15 3 40 48 8 41 47 8 41 51 8 42 48 8 42 52 8 43 51 8 43 53 8 44 52 8 44 53 8 45 49 8 45 55 8 46 50 8 46 56 8 47 57 8 48 58 8 49 60 8 5 16 3 50 61 8 51 62 8 52 63 8 53 64 8 55 56 8 55 65 8 56 66 8 57 60 8 57 62 8 58 61 8 58 63 8 60 65 8 61 66 8 62 67 8 63 68 8 64 67 8 64 68 8 65 69 8 66 70 8 67 69 8 68 70 8 69 70 8 73 80 8 73 81 8 74 76 8 74 77 8 75 78 8 75 79 8 76 78 8 77 79 8 8 36 3 80 82 8 80 84 8 81 83 8 82 85 8 82 86 8 83 85 8 84 87 8 85 89 8 86 88 8 86 90 8 87 88 8 88 92 8 89 91 8 9 13 8 9 19 8 90 91 8 90 93 8 92 94 8 93 94 8 $$$$