72519 -OEChem-04242419412D 116120 0 1 0 0 0 0 0999 V2000 3.4262 -0.7324 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9031 3.1291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5088 -1.8127 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9198 1.9674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0499 2.2021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6556 -2.7398 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2915 2.4089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8267 0.7616 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3557 2.5622 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3894 1.7908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1909 -4.3870 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3620 -0.8857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6341 0.2458 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.6462 2.4600 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.5577 -2.1217 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.7289 1.3796 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.1693 -1.4015 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9520 2.8201 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.7167 -0.8346 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.2289 2.9185 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.6310 0.1842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0945 1.6275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1127 -1.2276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5379 1.9674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9396 -0.7657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1175 1.8352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7810 -0.4854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2289 2.9185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8910 0.9149 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5973 2.7690 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.3498 -3.0999 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.5209 0.4015 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.9614 -2.3796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2089 3.4892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6678 -0.5255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4857 3.5876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2578 3.1802 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7046 -3.0488 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8757 0.4526 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.4994 3.3870 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.0989 1.8930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3404 2.0999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3988 -3.4089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5699 0.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.3690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0513 3.6600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4022 -4.0985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5733 -0.5971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2055 4.1788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8659 -3.5935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9847 0.9066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4989 4.3870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8257 -0.0169 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8230 3.2914 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1894 -2.6905 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4165 0.8800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3609 -1.6642 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8112 3.6584 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7350 0.0152 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4915 3.7269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2399 0.3006 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5916 0.8029 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8908 1.0419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6500 1.3522 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7074 -0.7584 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5965 -1.5711 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8479 1.4305 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1043 2.2196 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2714 -1.2894 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5007 -0.5019 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4980 1.8096 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0654 1.2173 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0686 0.0638 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2720 -0.1314 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8353 3.0474 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1640 3.5351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3710 0.5772 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4578 3.3731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9023 -3.3814 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0734 0.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6975 3.8710 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9178 4.0367 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3866 -2.1474 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6329 -2.9054 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7541 -1.1395 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2874 -0.5472 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9884 3.9506 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2369 4.1555 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7054 3.4617 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7370 -3.6679 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8432 1.0718 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9623 3.6968 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2815 1.9214 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4476 1.6505 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7185 0.8166 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6037 3.3785 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3328 4.2124 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4989 3.9415 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7830 -4.1310 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4346 -4.7177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0213 -4.0661 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9541 -0.6296 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6057 -1.2163 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1924 -0.5647 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8247 4.2113 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1731 4.7980 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5864 4.1464 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5282 -3.0735 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3460 -3.9312 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2036 -4.1134 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2662 1.4590 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4322 1.1881 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7032 0.3542 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1189 4.3874 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4986 5.0070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8789 4.3867 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 17 1 0 0 0 0 2 14 1 0 0 0 0 2 18 1 0 0 0 0 3 15 1 0 0 0 0 3 19 1 0 0 0 0 4 16 1 0 0 0 0 4 20 1 0 0 0 0 5 37 1 0 0 0 0 5 41 1 0 0 0 0 6 38 1 0 0 0 0 6 43 1 0 0 0 0 7 40 1 0 0 0 0 7 42 1 0 0 0 0 8 39 1 0 0 0 0 8 44 1 0 0 0 0 9 41 2 0 0 0 0 10 42 2 0 0 0 0 11 43 2 0 0 0 0 12 44 2 0 0 0 0 13 21 1 0 0 0 0 13 29 1 0 0 0 0 13 53 1 1 0 0 0 14 22 1 0 0 0 0 14 30 1 0 0 0 0 14 54 1 6 0 0 0 15 23 1 0 0 0 0 15 31 1 0 0 0 0 15 55 1 6 0 0 0 16 24 1 0 0 0 0 16 32 1 0 0 0 0 16 56 1 6 0 0 0 17 25 1 0 0 0 0 17 33 1 0 0 0 0 17 57 1 1 0 0 0 18 26 1 0 0 0 0 18 34 1 0 0 0 0 18 58 1 6 0 0 0 19 27 1 0 0 0 0 19 35 1 0 0 0 0 19 59 1 6 0 0 0 20 28 1 0 0 0 0 20 36 1 0 0 0 0 20 60 1 6 0 0 0 21 25 1 0 0 0 0 21 61 1 0 0 0 0 21 62 1 0 0 0 0 22 26 1 0 0 0 0 22 63 1 0 0 0 0 22 64 1 0 0 0 0 23 27 1 0 0 0 0 23 65 1 0 0 0 0 23 66 1 0 0 0 0 24 28 1 0 0 0 0 24 67 1 0 0 0 0 24 68 1 0 0 0 0 25 69 1 0 0 0 0 25 70 1 0 0 0 0 26 71 1 0 0 0 0 26 72 1 0 0 0 0 27 73 1 0 0 0 0 27 74 1 0 0 0 0 28 75 1 0 0 0 0 28 76 1 0 0 0 0 29 41 1 0 0 0 0 29 45 1 6 0 0 0 29 77 1 0 0 0 0 30 42 1 0 0 0 0 30 46 1 1 0 0 0 30 78 1 0 0 0 0 31 43 1 0 0 0 0 31 47 1 1 0 0 0 31 79 1 0 0 0 0 32 44 1 0 0 0 0 32 48 1 6 0 0 0 32 80 1 0 0 0 0 33 38 1 0 0 0 0 33 83 1 0 0 0 0 33 84 1 0 0 0 0 34 37 1 0 0 0 0 34 81 1 0 0 0 0 34 82 1 0 0 0 0 35 39 1 0 0 0 0 35 85 1 0 0 0 0 35 86 1 0 0 0 0 36 40 1 0 0 0 0 36 87 1 0 0 0 0 36 88 1 0 0 0 0 37 49 1 1 0 0 0 37 89 1 0 0 0 0 38 50 1 6 0 0 0 38 90 1 0 0 0 0 39 51 1 6 0 0 0 39 91 1 0 0 0 0 40 52 1 6 0 0 0 40 92 1 0 0 0 0 45 93 1 0 0 0 0 45 94 1 0 0 0 0 45 95 1 0 0 0 0 46 96 1 0 0 0 0 46 97 1 0 0 0 0 46 98 1 0 0 0 0 47 99 1 0 0 0 0 47100 1 0 0 0 0 47101 1 0 0 0 0 48102 1 0 0 0 0 48103 1 0 0 0 0 48104 1 0 0 0 0 49105 1 0 0 0 0 49106 1 0 0 0 0 49107 1 0 0 0 0 50108 1 0 0 0 0 50109 1 0 0 0 0 50110 1 0 0 0 0 51111 1 0 0 0 0 51112 1 0 0 0 0 51113 1 0 0 0 0 52114 1 0 0 0 0 52115 1 0 0 0 0 52116 1 0 0 0 0 M END > 72519 > 1 > 1040 > 12 > 0 > 0 > AAADcfB8PAAAAAAAAAAAAAAAAAAAASJEiQAAAAAAAAAAAAAAAAAAGgAAAAAADRSggAICCAAABAAIAACQCAAAAAAAAAAAAAEAAAAAABYAAAACAAAFIAAAAAGIyPCMAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > (1R,2R,5R,7R,10S,11S,14S,16S,19R,20R,23R,25R,28S,29S,32S,34S)-2,5,11,14,20,23,29,32-octamethyl-4,13,22,31,37,38,39,40-octaoxapentacyclo[32.2.1.17,10.116,19.125,28]tetracontane-3,12,21,30-tetrone > (1R,2R,5R,7R,10S,11S,14S,16S,19R,20R,23R,25R,28S,29S,32S,34S)-2,5,11,14,20,23,29,32-octamethyl-4,13,22,31,37,38,39,40-octaoxapentacyclo[32.2.1.17,10.116,19.125,28]tetracontane-3,12,21,30-tetrone > (1R,2R,5R,7R,10S,11S,14S,16S,19R,20R,23R,25R,28S,29S,32S,34S)-2,5,11,14,20,23,29,32-octamethyl-4,13,22,31,37,38,39,40-octaoxapentacyclo[32.2.1.17,10.116,19.125,28]tetracontane-3,12,21,30-tetrone > (1R,2R,5R,7R,10S,11S,14S,16S,19R,20R,23R,25R,28S,29S,32S,34S)-2,5,11,14,20,23,29,32-octamethyl-4,13,22,31,37,38,39,40-octaoxapentacyclo[32.2.1.17,10.116,19.125,28]tetracontane-3,12,21,30-tetrone > (1R,2R,5R,7R,10S,11S,14S,16S,19R,20R,23R,25R,28S,29S,32S,34S)-2,5,11,14,20,23,29,32-octamethyl-4,13,22,31,37,38,39,40-octaoxapentacyclo[32.2.1.17,10.116,19.125,28]tetracontane-3,12,21,30-tetrone > (1R,2R,5R,7R,10S,11S,14S,16S,19R,20R,23R,25R,28S,29S,32S,34S)-2,5,11,14,20,23,29,32-octamethyl-4,13,22,31,37,38,39,40-octaoxapentacyclo[32.2.1.17,10.116,19.125,28]tetracontane-3,12,21,30-diquinone > InChI=1S/C40H64O12/c1-21-17-29-9-13-34(49-29)26(6)38(42)46-23(3)19-31-11-15-36(51-31)28(8)40(44)48-24(4)20-32-12-16-35(52-32)27(7)39(43)47-22(2)18-30-10-14-33(50-30)25(5)37(41)45-21/h21-36H,9-20H2,1-8H3/t21-,22+,23+,24-,25-,26+,27+,28-,29-,30+,31+,32-,33-,34+,35+,36- > RMIXHJPMNBXMBU-QIIXEHPYSA-N > 6.6 > 736.43977747 > C40H64O12 > 736.9 > CC1CC2CCC(O2)C(C(=O)OC(CC3CCC(O3)C(C(=O)OC(CC4CCC(O4)C(C(=O)OC(CC5CCC(O5)C(C(=O)O1)C)C)C)C)C)C)C > C[C@@H]1C[C@H]2CC[C@H](O2)[C@@H](C(=O)O[C@H](C[C@@H]3CC[C@@H](O3)[C@H](C(=O)O[C@@H](C[C@H]4CC[C@H](O4)[C@@H](C(=O)O[C@H](C[C@@H]5CC[C@@H](O5)[C@H](C(=O)O1)C)C)C)C)C)C)C > 142 > 736.43977747 > 0 > 52 > 16 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 13 53 5 14 54 6 15 55 6 16 56 6 17 57 5 18 58 6 19 59 6 20 60 6 29 45 6 30 46 5 31 47 5 32 48 6 37 49 5 38 50 6 39 51 6 40 52 6 $$$$