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0 0 0 0 0 0 0 0 6.6675 -3.1435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2665 -1.3867 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8900 -2.1686 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.8327 -0.4857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7178 -5.0981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5358 -3.6068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5611 -4.5907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8650 -1.9460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3960 0.3405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0915 2.9687 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.5254 2.0677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9649 1.3162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0943 3.0434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5310 2.2172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5451 -2.6791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1597 -0.9905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6549 3.7949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5201 -2.4566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1346 -0.7679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8148 -1.5010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9306 -4.3677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1752 -2.9671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7575 -4.0945 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4492 -4.6913 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8964 -5.3526 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6437 -5.7125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4395 -5.6498 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9608 -3.2245 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3812 -3.8825 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0392 -4.4621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4424 -4.8172 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1003 -5.3968 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5536 -2.7429 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8956 -2.1633 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3160 -2.8213 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6799 -4.7389 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5964 -0.8617 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1708 -1.3662 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3888 -0.0528 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3293 -0.8477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7265 -5.7180 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0634 -3.2811 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7098 2.9223 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9693 1.6348 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0288 2.4296 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3681 1.1483 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0266 0.6993 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2473 3.6442 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5292 3.2984 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0872 2.6501 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0276 1.8552 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7380 -0.5360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3174 -0.1755 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4193 -1.3630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5702 5.2081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4761 -4.7894 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3523 -4.8222 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3850 -3.9460 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3131 -3.5715 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7796 -2.8291 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0372 -2.3626 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 27 1 0 0 0 0 2 22 1 0 0 0 0 2 23 1 0 0 0 0 3 17 2 0 0 0 0 4 29 2 0 0 0 0 5 35 1 0 0 0 0 5 41 1 0 0 0 0 6 37 1 0 0 0 0 6 75 1 0 0 0 0 7 37 2 0 0 0 0 8 38 1 0 0 0 0 8 42 1 0 0 0 0 9 11 1 0 0 0 0 9 14 1 0 0 0 0 9 17 1 0 0 0 0 10 29 1 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 43 1 6 0 0 0 12 18 1 0 0 0 0 12 19 1 0 0 0 0 12 20 1 0 0 0 0 13 15 1 0 0 0 0 13 44 1 0 0 0 0 13 45 1 0 0 0 0 14 16 2 0 0 0 0 14 21 1 0 0 0 0 15 16 1 0 0 0 0 15 46 1 0 0 0 0 15 47 1 0 0 0 0 16 25 1 0 0 0 0 17 22 1 0 0 0 0 18 48 1 0 0 0 0 18 49 1 0 0 0 0 18 50 1 0 0 0 0 19 51 1 0 0 0 0 19 52 1 0 0 0 0 19 56 1 0 0 0 0 20 53 1 0 0 0 0 20 54 1 0 0 0 0 20 55 1 0 0 0 0 21 23 1 0 0 0 0 21 26 2 0 0 0 0 22 24 1 1 0 0 0 22 57 1 0 0 0 0 23 28 1 0 0 0 0 23 58 1 1 0 0 0 24 29 1 0 0 0 0 24 59 1 0 0 0 0 24 60 1 0 0 0 0 25 27 2 0 0 0 0 25 61 1 0 0 0 0 26 27 1 0 0 0 0 26 62 1 0 0 0 0 28 35 2 0 0 0 0 28 36 1 0 0 0 0 30 31 1 0 0 0 0 30 33 1 0 0 0 0 30 37 1 0 0 0 0 30 63 1 0 0 0 0 31 64 1 0 0 0 0 31 65 1 0 0 0 0 32 34 1 0 0 0 0 32 66 1 0 0 0 0 32 67 1 0 0 0 0 33 34 1 0 0 0 0 33 68 1 0 0 0 0 33 69 1 0 0 0 0 34 70 1 0 0 0 0 34 71 1 0 0 0 0 35 38 1 0 0 0 0 36 39 2 0 0 0 0 36 72 1 0 0 0 0 38 40 2 0 0 0 0 39 40 1 0 0 0 0 39 73 1 0 0 0 0 40 74 1 0 0 0 0 41 76 1 0 0 0 0 41 77 1 0 0 0 0 41 78 1 0 0 0 0 42 79 1 0 0 0 0 42 80 1 0 0 0 0 42 81 1 0 0 0 0 M END > 70237440 > 1 > 1000 > 7 > 1 > 7 > AAADcfB/OAAEAAAAAAAAAAAAAAAAAAAAAAA8eIEABYAAAACxQAAAHgIACAAADz7hmCYyzoMABgCIAiXSWAKCCAAhJQAIiAFOzogPJz7Fs5+HcCpn5hHa6Afd0fMPAABDIAAKQAAAAIZAABSAAAAAAAAAAA== > InChI=1S/C32H39ClN2O7/c1-32(2,3)25-12-11-18-14-20(33)15-22-27(18)35(25)30(37)24(16-26(36)34-13-7-8-19(17-34)31(38)39)42-28(22)21-9-6-10-23(40-4)29(21)41-5/h6,9-10,14-15,19,24-25,28H,7-8,11-13,16-17H2,1-5H3,(H,38,39)/t19?,24-,25+,28-/m1/s1 > OUGSYMYRPYMGBH-WSTSMQLOSA-N > 4.7 > 598.244579 > C32H39ClN2O7 > 599.11426 > CC(C)(C)C1CCC2=CC(=CC3=C2N1C(=O)C(OC3C4=C(C(=CC=C4)OC)OC)CC(=O)N5CCCC(C5)C(=O)O)Cl > CC(C)(C)[C@@H]1CCC2=CC(=CC3=C2N1C(=O)[C@H](O[C@@H]3C4=C(C(=CC=C4)OC)OC)CC(=O)N5CCCC(C5)C(=O)O)Cl > 106 > 598.244579 > 0 > 42 > 3 > 1 > 0 > 0 > 0 > 1 > 2 > 1 5 255 > 11 43 6 14 16 8 14 21 8 16 25 8 21 26 8 22 24 5 23 58 5 25 27 8 26 27 8 28 35 8 28 36 8 30 37 3 35 38 8 36 39 8 38 40 8 39 40 8 $$$$