11126005 -OEChem-05082422592D 120155 0 1 0 0 0 0 0999 V2000 4.6847 2.8447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1474 1.1981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5426 -0.9996 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0672 0.6511 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0962 2.1908 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2142 -0.3507 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1982 2.7186 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0802 -0.8507 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0802 1.1493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2142 0.6493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2961 2.1977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9462 -0.3507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3042 1.1561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9462 0.6493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4389 2.0932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3042 -0.8576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6931 3.6232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0962 -1.8922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8914 1.8662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3284 -0.0228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7174 0.3540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8401 1.1840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2827 2.4627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8401 -0.8854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9875 0.6344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3070 1.1442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4840 3.1234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2961 -1.8992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6979 3.9304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0843 -1.9994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7085 3.8030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1982 -2.4200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7343 0.7158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7462 0.6701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5228 1.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7462 -0.3715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2379 2.4338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2652 -1.9229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4440 0.4072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7871 1.3737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6018 -1.1334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4824 1.4152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6626 4.8177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4754 -3.4301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8715 4.9312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2625 -3.0316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2840 2.7612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2822 -1.2525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6406 3.2710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4967 -2.9384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7971 5.3492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4798 -3.7277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5003 2.0561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0459 -0.5442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7346 3.7064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9302 -2.2217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8335 1.2681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8060 -3.9387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8124 5.4318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7163 -4.4442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8891 1.0389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7576 0.2238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1112 6.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7188 -4.7704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7531 5.0411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6724 -4.5266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8454 5.9662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4053 -3.9251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5158 -6.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6619 -5.5655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9171 0.7408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1478 2.0663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4923 1.4789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6944 2.8257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7341 3.1549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1968 1.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4956 -1.3025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0202 0.3482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9901 2.4867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2344 -0.6286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3682 2.4063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6194 2.9673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3219 3.2307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.6272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9084 -1.3674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8450 0.1634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1299 -0.1273 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0971 1.9107 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8278 0.1273 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4874 0.4975 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7540 2.5451 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5841 1.8080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8676 0.9854 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0653 1.7155 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7604 3.4421 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1154 3.0471 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0258 3.7019 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2460 3.5372 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5771 1.4874 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1097 0.8944 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2081 -1.8518 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9866 -1.6810 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6397 0.3738 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1026 0.9627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9833 2.3286 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6007 2.9811 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1056 3.3520 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3719 3.5358 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7832 3.6450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9076 3.6919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8606 2.8164 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0871 3.2410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3862 2.7143 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9129 2.0133 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4503 -1.7852 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3262 -1.8255 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3664 -0.9496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3360 -0.2152 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2236 0.6544 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3540 0.5419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 1 75 1 0 0 0 0 2 19 1 0 0 0 0 2 76 1 0 0 0 0 3 20 1 0 0 0 0 3 77 1 0 0 0 0 4 20 1 0 0 0 0 4 78 1 0 0 0 0 5 7 1 0 0 0 0 5 9 1 0 0 0 0 5 15 1 0 0 0 0 5 25 1 1 0 0 0 6 8 1 0 0 0 0 6 10 1 0 0 0 0 6 16 1 0 0 0 0 6 26 1 1 0 0 0 7 11 1 0 0 0 0 7 17 1 0 0 0 0 7 19 1 1 0 0 0 8 12 1 0 0 0 0 8 18 1 0 0 0 0 8 20 1 1 0 0 0 9 10 2 0 0 0 0 9 14 1 0 0 0 0 10 13 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 27 1 0 0 0 0 16 21 2 0 0 0 0 16 28 1 0 0 0 0 17 29 2 0 0 0 0 17 31 1 0 0 0 0 18 30 2 0 0 0 0 18 32 1 0 0 0 0 19 39 1 0 0 0 0 20 40 1 0 0 0 0 21 33 1 0 0 0 0 22 34 1 0 0 0 0 23 29 1 0 0 0 0 23 35 2 0 0 0 0 24 30 1 0 0 0 0 24 36 2 0 0 0 0 25 39 2 0 0 0 0 25 71 1 0 0 0 0 26 40 2 0 0 0 0 26 72 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 45 1 0 0 0 0 30 46 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 47 1 0 0 0 0 36 48 1 0 0 0 0 37 42 1 0 0 0 0 37 49 2 0 0 0 0 38 41 1 0 0 0 0 38 50 2 0 0 0 0 39 87 1 0 0 0 0 40 88 1 0 0 0 0 41 53 1 0 0 0 0 42 54 1 0 0 0 0 43 49 1 0 0 0 0 43 51 2 0 0 0 0 44 50 1 0 0 0 0 44 52 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 53 2 0 0 0 0 47 55 1 0 0 0 0 48 54 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 61 1 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 62 1 0 0 0 0 57 65 2 0 0 0 0 58 61 1 0 0 0 0 58 66 2 0 0 0 0 59 63 2 0 0 0 0 59 65 1 0 0 0 0 60 64 2 0 0 0 0 60 66 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 70 1 0 0 0 0 68 69 1 0 0 0 0 69 70 2 0 0 0 0 71 73 1 0 0 0 0 71 89 1 0 0 0 0 71 90 1 0 0 0 0 72 74 1 0 0 0 0 72 91 1 0 0 0 0 72 92 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 79 1 0 0 0 0 75 97 1 0 0 0 0 75 98 1 0 0 0 0 76 79 1 0 0 0 0 76 99 1 0 0 0 0 76100 1 0 0 0 0 77 80 1 0 0 0 0 77101 1 0 0 0 0 77102 1 0 0 0 0 78 80 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 83109 1 0 0 0 0 83110 1 0 0 0 0 83111 1 0 0 0 0 84112 1 0 0 0 0 84113 1 0 0 0 0 84114 1 0 0 0 0 85115 1 0 0 0 0 85116 1 0 0 0 0 85117 1 0 0 0 0 86118 1 0 0 0 0 86119 1 0 0 0 0 86120 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 > 1082.24570956 > C82H34O4 > 1083.1 > 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 > 1082.24570956 > 0 > 86 > 4 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 13 8 11 13 8 11 23 8 12 14 8 12 24 8 13 21 8 14 22 8 15 22 8 15 27 8 16 21 8 16 28 8 17 29 8 17 31 8 18 30 8 18 32 8 21 33 8 22 34 8 23 29 8 23 35 8 24 30 8 24 36 8 27 31 8 27 37 8 28 32 8 28 38 8 29 45 8 30 46 8 31 43 8 32 44 8 33 35 8 33 41 8 34 36 8 34 42 8 35 47 8 36 48 8 37 42 8 37 49 8 38 41 8 38 50 8 41 53 8 42 54 8 43 49 8 43 51 8 44 50 8 44 52 8 45 51 8 45 55 8 46 52 8 46 56 8 47 53 8 47 55 8 48 54 8 48 56 8 49 57 8 5 25 5 50 58 8 51 59 8 52 60 8 53 61 8 54 62 8 55 63 8 56 64 8 57 62 8 57 65 8 58 61 8 58 66 8 59 63 8 59 65 8 6 26 5 60 64 8 60 66 8 61 67 8 62 68 8 63 67 8 64 68 8 65 69 8 66 70 8 67 70 8 68 69 8 69 70 8 7 19 5 8 20 5 9 10 8 9 14 8 $$$$