399362 -OEChem-05112403212D 74 75 0 1 0 0 0 0 0999 V2000 7.0095 -1.8987 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9258 2.2555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.6399 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.1399 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5423 0.6231 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7833 2.9927 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.1399 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.3601 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -0.6399 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -0.1399 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.6399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.8601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -2.1399 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4030 1.3601 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0010 -0.1399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.6399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -1.6399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 0.8601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.6399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.8601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1441 -2.6058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4370 -1.8987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9670 1.1189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2599 1.8260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -3.1399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6976 2.0689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8475 -1.2880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7529 2.8809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3861 -0.4019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7569 3.1399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2922 1.6294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6741 2.4620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3905 -0.0323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7890 -0.7225 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0135 -0.7476 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6150 -0.0573 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0791 -2.2225 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4776 -1.5322 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3249 1.4427 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9264 0.7524 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.7599 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.9801 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4040 -0.3299 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.4499 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5453 -2.4454 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9837 -3.2047 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7430 -2.7663 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2766 -1.2999 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8382 -2.0592 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5975 -2.4976 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1274 0.5200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5658 1.2794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8065 1.7178 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8587 1.6656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4203 2.4249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6610 1.9865 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3810 -3.1399 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -3.7599 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6210 -3.1399 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1371 2.5062 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2603 2.5084 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2581 1.6316 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9935 -1.8906 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3912 -0.8683 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8391 3.4949 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0226 2.3226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7527 -0.9019 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8034 -0.1901 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0727 3.6735 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7910 2.5208 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9054 1.5378 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7315 1.3647 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2754 2.6133 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2585 2.0020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 27 1 0 0 0 0 2 14 1 0 0 0 0 2 28 1 0 0 0 0 3 19 2 0 0 0 0 4 20 2 0 0 0 0 5 29 1 0 0 0 0 5 31 1 0 0 0 0 6 30 1 0 0 0 0 6 32 1 0 0 0 0 7 11 1 0 0 0 0 7 19 1 0 0 0 0 7 41 1 0 0 0 0 8 12 1 0 0 0 0 8 20 1 0 0 0 0 8 42 1 0 0 0 0 9 15 1 0 0 0 0 9 17 1 0 0 0 0 9 43 1 0 0 0 0 10 16 1 0 0 0 0 10 18 1 0 0 0 0 10 44 1 0 0 0 0 11 16 1 0 0 0 0 11 21 1 0 0 0 0 11 22 1 0 0 0 0 12 15 1 0 0 0 0 12 23 1 0 0 0 0 12 24 1 0 0 0 0 13 17 1 0 0 0 0 13 19 1 0 0 0 0 13 25 1 6 0 0 0 14 18 1 0 0 0 0 14 20 1 0 0 0 0 14 26 1 6 0 0 0 15 33 1 0 0 0 0 15 34 1 0 0 0 0 16 35 1 0 0 0 0 16 36 1 0 0 0 0 17 37 1 0 0 0 0 17 38 1 0 0 0 0 18 39 1 0 0 0 0 18 40 1 0 0 0 0 21 45 1 0 0 0 0 21 46 1 0 0 0 0 21 47 1 0 0 0 0 22 48 1 0 0 0 0 22 49 1 0 0 0 0 22 50 1 0 0 0 0 23 51 1 0 0 0 0 23 52 1 0 0 0 0 23 53 1 0 0 0 0 24 54 1 0 0 0 0 24 55 1 0 0 0 0 24 56 1 0 0 0 0 25 57 1 0 0 0 0 25 58 1 0 0 0 0 25 59 1 0 0 0 0 26 60 1 0 0 0 0 26 61 1 0 0 0 0 26 62 1 0 0 0 0 27 29 1 0 0 0 0 27 63 1 0 0 0 0 27 64 1 0 0 0 0 28 30 1 0 0 0 0 28 65 1 0 0 0 0 28 66 1 0 0 0 0 29 67 1 0 0 0 0 29 68 1 0 0 0 0 30 69 1 0 0 0 0 30 70 1 0 0 0 0 31 32 1 0 0 0 0 31 71 1 0 0 0 0 31 72 1 0 0 0 0 32 73 1 0 0 0 0 32 74 1 0 0 0 0 M END > 399362 > 1 > 590 > 8 > 4 > 0 > AAADcfB7uAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAHgAQAAAADMzhgAYCAALABAAIAAEQEAIAAAAAAAAAAIFIAAADQAgAQAQXAAAAFACSAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > (1R,12R)-1,12,15,15,21,21-hexamethyl-2,5,8,11-tetraoxa-14,17,20,23-tetrazabicyclo[10.6.6]tetracosane-13,19-dione > (1R,12R)-1,12,15,15,21,21-hexamethyl-2,5,8,11-tetraoxa-14,17,20,23-tetrazabicyclo[10.6.6]tetracosane-13,19-dione > (1R,12R)-1,12,15,15,21,21-hexamethyl-2,5,8,11-tetraoxa-14,17,20,23-tetrazabicyclo[10.6.6]tetracosane-13,19-dione > (1R,12R)-1,12,15,15,21,21-hexamethyl-2,5,8,11-tetraoxa-14,17,20,23-tetrazabicyclo[10.6.6]tetracosane-13,19-dione > (1R,12R)-1,12,15,15,21,21-hexamethyl-2,5,8,11-tetraoxa-14,17,20,23-tetrazabicyclo[10.6.6]tetracosane-13,19-dione > (1R,12R)-1,12,15,15,21,21-hexamethyl-2,5,8,11-tetraoxa-14,17,20,23-tetrazabicyclo[10.6.6]tetracosane-13,19-quinone > InChI=1S/C22H42N4O6/c1-19(2)13-23-15-22(6)18(28)26-20(3,4)14-24-16-21(5,17(27)25-19)31-11-9-29-7-8-30-10-12-32-22/h23-24H,7-16H2,1-6H3,(H,25,27)(H,26,28)/t21-,22-/m1/s1 > CHJKWTVAGDXQNA-FGZHOGPDSA-N > -1.3 > 458.31043507 > C22H42N4O6 > 458.6 > CC1(CNCC2(C(=O)NC(CNCC(C(=O)N1)(OCCOCCOCCO2)C)(C)C)C)C > C[C@@]12CNCC(NC(=O)[C@@](CNCC(NC1=O)(C)C)(OCCOCCOCCO2)C)(C)C > 119 > 458.31043507 > 0 > 32 > 2 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 13 25 6 14 26 6 $$$$