72519 -OEChem-07191013262D 116120 0 1 0 0 0 0 0999 V2000 11.8418 -0.7324 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3648 3.1291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7592 -1.8127 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3481 1.9674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2180 2.2021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6123 -2.7398 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9764 2.4089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4412 0.7616 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9122 2.5622 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8785 1.7908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0771 -4.3870 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9060 -0.8857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6338 0.2458 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.6217 2.4600 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7102 -2.1217 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5391 1.3796 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.0986 -1.4015 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3159 2.8201 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5512 -0.8346 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.0391 2.9185 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.6370 0.1842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1735 1.6275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1553 -1.2276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7301 1.9674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3283 -0.7657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1504 1.8352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4870 -0.4854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0391 2.9185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3770 0.9149 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.6706 2.7690 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9181 -3.0999 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.7470 0.4015 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.3065 -2.3796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0590 3.4892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6002 -0.5255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7822 3.5876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0101 3.1802 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.5634 -3.0488 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.3923 0.4526 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7685 3.3870 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.1691 1.8930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9275 2.0999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8692 -3.4089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6981 0.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2679 1.3690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2166 3.6600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8658 -4.0985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6947 -0.5971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0624 4.1788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4020 -3.5935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2833 0.9066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7690 4.3870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4422 -0.0169 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4450 3.2914 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0785 -2.6905 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8514 0.8800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9070 -1.6642 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4567 3.6584 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5330 0.0152 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7764 3.7269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0280 0.3006 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6764 0.8029 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3772 1.0419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6180 1.3522 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5606 -0.7584 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6714 -1.5711 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4201 1.4305 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1637 2.2196 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9965 -1.2894 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7673 -0.5019 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7699 1.8096 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2025 1.2173 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1993 0.0638 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9960 -0.1314 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4326 3.0474 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1039 3.5351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8970 0.5772 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8101 3.3731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3657 -3.3814 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1946 0.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5705 3.8710 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3501 4.0367 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8814 -2.1474 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6351 -2.9054 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5139 -1.1395 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9806 -0.5472 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2796 3.9506 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0311 4.1555 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5625 3.4617 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5309 -3.6679 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4247 1.0718 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3056 3.6968 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9864 1.9214 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8203 1.6505 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5495 0.8166 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6642 3.3785 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9352 4.2124 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7691 3.9415 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4849 -4.1310 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8333 -4.7177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2466 -4.0661 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3138 -0.6296 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6622 -1.2163 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0755 -0.5647 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4433 4.2113 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0949 4.7980 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6816 4.1464 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7397 -3.0735 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9220 -3.9312 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0643 -4.1134 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0018 1.4590 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8357 1.1881 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5648 0.3542 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1490 4.3874 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7694 5.0070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3890 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== > 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 > 736.439778 > C40H64O12 > 736.92896 > 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 > 736.439778 > 0 > 52 > 16 > 0 > 0 > 0 > 0 > 1 > 1 > 1 3 > 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 $$$$