11126005 -OEChem-05221303212D 120155 0 1 0 0 0 0 0999 V2000 8.5309 -0.9996 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0555 0.6511 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6731 2.8447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1358 1.1981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0846 2.1908 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2025 -0.3507 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0685 -0.8507 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1865 2.7186 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2025 0.6493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0685 1.1493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2844 2.1977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9345 -0.3507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2925 1.1561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9345 0.6493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4272 2.0932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2925 -0.8576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6814 3.6232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0846 -1.8922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3167 -0.0228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8797 1.8662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7057 0.3540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8285 1.1840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2710 2.4627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8285 -0.8854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2953 1.1442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9758 0.6344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2844 -1.8992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4723 3.1234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0726 -1.9994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6862 3.9304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1865 -2.4200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6968 3.8030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7345 0.6701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7226 0.7158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7345 -0.3715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5112 1.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2535 -1.9229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2262 2.4338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4323 0.4072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7754 1.3737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4707 1.4152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5901 -1.1334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4638 -3.4301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6510 4.8177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8598 4.9312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2508 -3.0316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2724 2.7612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2705 -1.2525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6289 3.2710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4851 -2.9384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7855 5.3492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4681 -3.7277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0342 -0.5442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4886 2.0561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7229 3.7064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9186 -2.2217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8218 1.2681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7943 -3.9387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8007 5.4318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7046 -4.4442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8775 1.0389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7460 0.2238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0996 6.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7071 -4.7704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6608 -4.5266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7414 5.0411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8337 5.9662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3936 -3.9251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6502 -5.5655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5041 -6.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9055 0.7408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1361 2.0663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4806 1.4789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6828 2.8257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1851 1.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7224 3.1549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0086 0.3482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4840 -1.3025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2228 -0.6286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9784 2.4867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3566 2.4063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6077 2.9673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8967 -1.3674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1996 -0.4144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3102 3.2307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.2800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0854 1.9107 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1182 -0.1273 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7423 2.5451 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5725 1.8080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8161 0.1273 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4757 0.4975 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8559 0.9854 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0537 1.7155 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7488 3.4421 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1037 3.0471 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5654 1.4874 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0980 0.8944 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0142 3.7019 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2343 3.5372 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6280 0.3738 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0909 0.9627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1964 -1.8518 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9750 -1.6810 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9717 2.3286 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5890 2.9811 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0939 3.3520 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3602 3.5358 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8719 2.8866 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3934 2.1519 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1281 1.6734 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7715 3.6450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8959 3.6919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8489 2.8164 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3324 -1.0200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8052 -0.2816 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0667 0.1912 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4386 -1.7852 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3145 -1.8255 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3547 -0.9496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 1 78 1 0 0 0 0 2 19 1 0 0 0 0 2 77 1 0 0 0 0 3 20 1 0 0 0 0 3 76 1 0 0 0 0 4 20 1 0 0 0 0 4 75 1 0 0 0 0 5 8 1 0 0 0 0 5 10 1 0 0 0 0 5 15 1 1 0 0 0 5 26 1 0 0 0 0 6 7 1 0 0 0 0 6 9 1 0 0 0 0 6 16 1 1 0 0 0 6 25 1 0 0 0 0 7 12 1 0 0 0 0 7 18 1 0 0 0 0 7 19 1 1 0 0 0 8 11 1 0 0 0 0 8 17 1 0 0 0 0 8 20 1 1 0 0 0 9 10 2 0 0 0 0 9 13 1 0 0 0 0 10 14 1 0 0 0 0 11 13 2 0 0 0 0 11 23 1 0 0 0 0 12 14 2 0 0 0 0 12 24 1 0 0 0 0 13 21 1 0 0 0 0 14 22 1 0 0 0 0 15 22 2 0 0 0 0 15 28 1 0 0 0 0 16 21 2 0 0 0 0 16 27 1 0 0 0 0 17 30 2 0 0 0 0 17 32 1 0 0 0 0 18 29 2 0 0 0 0 18 31 1 0 0 0 0 19 40 1 0 0 0 0 20 39 1 0 0 0 0 21 34 1 0 0 0 0 22 33 1 0 0 0 0 23 30 1 0 0 0 0 23 36 2 0 0 0 0 24 29 1 0 0 0 0 24 35 2 0 0 0 0 25 40 2 0 0 0 0 25 72 1 0 0 0 0 26 39 2 0 0 0 0 26 71 1 0 0 0 0 27 31 2 0 0 0 0 27 37 1 0 0 0 0 28 32 2 0 0 0 0 28 38 1 0 0 0 0 29 46 1 0 0 0 0 30 45 1 0 0 0 0 31 43 1 0 0 0 0 32 44 1 0 0 0 0 33 35 1 0 0 0 0 33 41 2 0 0 0 0 34 36 1 0 0 0 0 34 42 2 0 0 0 0 35 48 1 0 0 0 0 36 47 1 0 0 0 0 37 42 1 0 0 0 0 37 50 2 0 0 0 0 38 41 1 0 0 0 0 38 49 2 0 0 0 0 39 88 1 0 0 0 0 40 87 1 0 0 0 0 41 53 1 0 0 0 0 42 54 1 0 0 0 0 43 50 1 0 0 0 0 43 52 2 0 0 0 0 44 49 1 0 0 0 0 44 51 2 0 0 0 0 45 51 1 0 0 0 0 45 55 2 0 0 0 0 46 52 1 0 0 0 0 46 56 2 0 0 0 0 47 54 2 0 0 0 0 47 55 1 0 0 0 0 48 53 2 0 0 0 0 48 56 1 0 0 0 0 49 57 1 0 0 0 0 50 58 1 0 0 0 0 51 59 1 0 0 0 0 52 60 1 0 0 0 0 53 62 1 0 0 0 0 54 61 1 0 0 0 0 55 63 1 0 0 0 0 56 64 1 0 0 0 0 57 62 1 0 0 0 0 57 66 2 0 0 0 0 58 61 1 0 0 0 0 58 65 2 0 0 0 0 59 63 2 0 0 0 0 59 66 1 0 0 0 0 60 64 2 0 0 0 0 60 65 1 0 0 0 0 61 67 2 0 0 0 0 62 68 2 0 0 0 0 63 67 1 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 73 1 0 0 0 0 71 91 1 0 0 0 0 71 92 1 0 0 0 0 72 74 1 0 0 0 0 72 89 1 0 0 0 0 72 90 1 0 0 0 0 73 81 1 0 0 0 0 73 93 1 0 0 0 0 73 94 1 0 0 0 0 74 82 1 0 0 0 0 74 95 1 0 0 0 0 74 96 1 0 0 0 0 75 80 1 0 0 0 0 75 97 1 0 0 0 0 75 98 1 0 0 0 0 76 80 1 0 0 0 0 76 99 1 0 0 0 0 76100 1 0 0 0 0 77 79 1 0 0 0 0 77101 1 0 0 0 0 77102 1 0 0 0 0 78 79 1 0 0 0 0 78103 1 0 0 0 0 78104 1 0 0 0 0 79 83 1 0 0 0 0 79 84 1 0 0 0 0 80 85 1 0 0 0 0 80 86 1 0 0 0 0 81 82 1 0 0 0 0 81105 1 0 0 0 0 81106 1 0 0 0 0 82107 1 0 0 0 0 82108 1 0 0 0 0 83118 1 0 0 0 0 83119 1 0 0 0 0 83120 1 0 0 0 0 84115 1 0 0 0 0 84116 1 0 0 0 0 84117 1 0 0 0 0 85112 1 0 0 0 0 85113 1 0 0 0 0 85114 1 0 0 0 0 86109 1 0 0 0 0 86110 1 0 0 0 0 86111 1 0 0 0 0 M END > 11126005 > 1 > 6000 > 4 > 0 > 0 > AAADcfB8OAAAAAAAAAAAAAAAAAAAAQIECBAkSIECAAAAAEAAAAAAGgAAAAAADgSggAICCAAABACAAiBCAAAAAAAgAAAACAAAAAgYBAIAIQAiEAAFwAAMoAOAwOAPgAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > InChI=1S/C82H34O4/c1-75(2)13-83-77(84-14-75)11-17-9-7-5-6-8-10-18-12-78(85-15-76(3,4)16-86-78)82-70-58-50-40-30-24-19-20-22-25-29-23(20)31-27-21(19)26(30)33-37-35(27)47-43(31)49-39(29)45-41-34(25)38-36-28(22)32(24)44(50)48(36)60(70)62-52(38)54(41)64-66(72(62)82)73-74-65-63-53(42(33)46(40)56(58)68(63)80(18,74)82)51(37)61-59(47)69-57(49)55(45)67(64)79(17,73)81(69,77)71(61)65/h11-12H,5-10,13-16H2,1-4H3/t79-,80-,81+,82+/m1/s1 > XKPMJGRWKDRZTP-ODJNQATGSA-N > 18 > 1082.24571 > C82H34O4 > 1083.14496 > CC1(COC2(C=C3CCCCCCC4=CC5(C67C48C9=C4C%10=C%11C%12=C%13C%10=C%10C%14=C%15C22C%10=C4C8=C4C23C2=C3C4=C6C4=C6C3=C3C8=C6C6=C%10C4=C7C4=C9C%11=C7C4=C%10C4=C6C6=C8C8=C9C6=C6C4=C7C%12=C6C4=C9C(=C6C8=C3C2=C6%15)C%14=C4%13)OCC(CO5)(C)C)OC1)C > CC1(COC2(C=C3CCCCCCC4=CC5([C@@]67[C@@]48C9=C4C%10=C%11C%12=C%13C%10=C%10C%14=C%15[C@]22C%10=C4C8=C4[C@@]23C2=C3C4=C6C4=C6C3=C3C8=C6C6=C%10C4=C7C4=C9C%11=C7C4=C%10C4=C6C6=C8C8=C9C6=C6C4=C7C%12=C6C4=C9C(=C6C8=C3C2=C6%15)C%14=C4%13)OCC(CO5)(C)C)OC1)C > 36.9 > 1082.24571 > 0 > 86 > 4 > 0 > 0 > 0 > 0 > 1 > 1 > 1 5 255 > 10 14 8 11 13 8 11 23 8 12 14 8 12 24 8 13 21 8 14 22 8 15 22 8 15 28 8 16 21 8 16 27 8 17 30 8 17 32 8 18 29 8 18 31 8 21 34 8 22 33 8 23 30 8 23 36 8 24 29 8 24 35 8 27 31 8 27 37 8 28 32 8 28 38 8 29 46 8 30 45 8 31 43 8 32 44 8 33 35 8 33 41 8 34 36 8 34 42 8 35 48 8 36 47 8 37 42 8 37 50 8 38 41 8 38 49 8 41 53 8 42 54 8 43 50 8 43 52 8 44 49 8 44 51 8 45 51 8 45 55 8 46 52 8 46 56 8 47 54 8 47 55 8 48 53 8 48 56 8 49 57 8 5 15 5 50 58 8 51 59 8 52 60 8 53 62 8 54 61 8 55 63 8 56 64 8 57 62 8 57 66 8 58 61 8 58 65 8 59 63 8 59 66 8 6 16 5 60 64 8 60 65 8 61 67 8 62 68 8 63 67 8 64 68 8 65 69 8 66 70 8 67 69 8 68 70 8 69 70 8 7 19 5 8 20 5 9 10 8 9 13 8 $$$$