16151337 -OEChem-05102403532D 108142 0 1 0 0 0 0 0999 V2000 4.7950 -1.0306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2467 3.6624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2336 -3.3676 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9773 2.5853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2302 -0.0609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5172 3.5669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5774 1.6557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3526 -0.7882 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.2187 -1.2882 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.6215 2.6547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3524 -1.7886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4647 2.1170 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2347 1.7533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9786 0.7465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3526 0.2118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0847 -0.7882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2187 0.7118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0847 0.2118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4426 -1.2950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2347 -2.3297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8470 3.3655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3764 1.9963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3367 2.2811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8847 0.2326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4426 0.7187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9786 -1.3228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8316 3.1857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6209 0.9778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8558 -0.0834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2228 -2.4368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4346 1.7603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8847 -0.8090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4346 -2.3366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3367 -2.8574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8011 4.3802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8192 2.8856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9433 -2.6632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4490 1.7362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7925 -0.9600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4095 3.1155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8364 3.4930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1844 -0.9817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4212 2.0252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4207 -1.6899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9411 -0.5595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4010 -3.4690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4037 -2.3603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6139 -3.8676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9356 4.9117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9720 0.8306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6613 1.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0687 -2.6592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0100 4.4937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8961 -0.2137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7403 -1.5709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6182 -4.1651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6352 -3.3758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9498 5.0133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8983 4.6400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2350 0.3683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8572 -5.2079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8731 3.2689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5438 -4.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8845 -2.1179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8548 -4.8817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6818 -3.7259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1458 -1.2853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7984 -4.2660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8569 -3.1332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8109 -4.9641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8134 -3.2606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2777 -2.2953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.2653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2256 1.0214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8419 -3.4978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6865 0.0719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2351 -0.2020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1915 4.6609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8857 -3.3420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7676 -0.9804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2376 -0.2726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0286 5.2079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4854 -2.5331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8001 -2.8148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1130 -1.7456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4578 -1.9894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2916 -3.5954 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0629 -2.6930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8447 1.0544 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7281 0.6515 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4789 -4.0005 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8662 -2.8783 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2747 -0.1241 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0880 -0.0901 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8013 0.0506 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0847 0.3994 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9477 5.2310 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5878 4.5198 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1939 0.3458 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6192 -0.3164 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2814 -0.8911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3678 4.6889 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5477 5.5471 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6895 5.7270 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9939 -2.1552 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2044 -3.2848 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6349 -1.3508 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0062 -2.2786 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 39 1 0 0 0 0 1 77 1 0 0 0 0 2 40 1 0 0 0 0 2 78 1 0 0 0 0 3 37 2 0 0 0 0 4 38 2 0 0 0 0 5 39 2 0 0 0 0 6 40 2 0 0 0 0 7 10 1 0 0 0 0 7 12 1 0 0 0 0 7 13 1 0 0 0 0 7 14 1 0 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 8 15 1 0 0 0 0 8 19 1 0 0 0 0 9 11 1 0 0 0 0 9 16 1 0 0 0 0 9 20 1 0 0 0 0 10 12 1 0 0 0 0 10 21 1 0 0 0 0 10 22 1 0 0 0 0 11 37 1 0 0 0 0 11 39 1 0 0 0 0 12 38 1 0 0 0 0 12 40 1 6 0 0 0 13 17 1 0 0 0 0 13 23 2 0 0 0 0 14 18 1 0 0 0 0 14 24 2 0 0 0 0 15 17 2 0 0 0 0 15 25 1 0 0 0 0 16 18 2 0 0 0 0 16 26 1 0 0 0 0 17 18 1 0 0 0 0 19 29 2 0 0 0 0 19 33 1 0 0 0 0 20 30 1 0 0 0 0 20 34 2 0 0 0 0 21 27 1 0 0 0 0 21 35 2 0 0 0 0 22 28 1 0 0 0 0 22 36 2 0 0 0 0 23 27 1 0 0 0 0 23 31 1 0 0 0 0 24 28 1 0 0 0 0 24 32 1 0 0 0 0 25 29 1 0 0 0 0 25 31 2 0 0 0 0 26 30 2 0 0 0 0 26 32 1 0 0 0 0 27 41 2 0 0 0 0 28 42 2 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 2 0 0 0 0 33 34 1 0 0 0 0 33 47 2 0 0 0 0 34 48 1 0 0 0 0 35 36 1 0 0 0 0 35 49 1 0 0 0 0 36 50 1 0 0 0 0 37 71 1 0 0 0 0 38 74 1 0 0 0 0 41 43 1 0 0 0 0 41 53 1 0 0 0 0 42 44 1 0 0 0 0 42 54 1 0 0 0 0 43 51 2 0 0 0 0 44 52 1 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 55 1 0 0 0 0 47 57 1 0 0 0 0 48 56 1 0 0 0 0 48 57 2 0 0 0 0 49 53 2 0 0 0 0 49 58 1 0 0 0 0 50 54 2 0 0 0 0 50 59 1 0 0 0 0 51 60 1 0 0 0 0 52 61 2 0 0 0 0 53 62 1 0 0 0 0 54 63 1 0 0 0 0 55 64 1 0 0 0 0 56 65 1 0 0 0 0 57 66 1 0 0 0 0 58 59 2 0 0 0 0 58 67 1 0 0 0 0 59 68 1 0 0 0 0 60 62 1 0 0 0 0 60 64 2 0 0 0 0 61 63 1 0 0 0 0 61 65 1 0 0 0 0 62 67 2 0 0 0 0 63 68 2 0 0 0 0 64 69 1 0 0 0 0 65 70 2 0 0 0 0 66 69 2 0 0 0 0 66 70 1 0 0 0 0 67 72 1 0 0 0 0 68 73 1 0 0 0 0 69 72 1 0 0 0 0 70 73 1 0 0 0 0 71 75 1 0 0 0 0 71 87 1 0 0 0 0 71 88 1 0 0 0 0 72 73 2 0 0 0 0 74 76 1 0 0 0 0 74 89 1 0 0 0 0 74 90 1 0 0 0 0 75 79 1 0 0 0 0 75 91 1 0 0 0 0 75 92 1 0 0 0 0 76 80 1 0 0 0 0 76 93 1 0 0 0 0 76 94 1 0 0 0 0 77 81 1 0 0 0 0 77 95 1 0 0 0 0 77 96 1 0 0 0 0 78 82 1 0 0 0 0 78 97 1 0 0 0 0 78 98 1 0 0 0 0 79 83 2 0 0 0 0 79 84 1 0 0 0 0 80 85 2 0 0 0 0 80 86 1 0 0 0 0 81 99 1 0 0 0 0 81100 1 0 0 0 0 81101 1 0 0 0 0 82102 1 0 0 0 0 82103 1 0 0 0 0 82104 1 0 0 0 0 83 85 1 0 0 0 0 83105 1 0 0 0 0 84 86 2 0 0 0 0 84106 1 0 0 0 0 85107 1 0 0 0 0 86108 1 0 0 0 0 M END > 16151337 > 1 > 4900 > 6 > 0 > 6 > AAADceB8OAAAAAAAAAAAAAAAGDAAAYMGDBAwYMGDBggAAAABVAAAGgAAAAAADgSgmAIyCMAABACIAqDSCAACAAAgAAAIiAEAAIgIIDaIERCCIAAkoAAIiAeIyPCPwAACAAAQAACAAAQAACAAAQAACAAAAA== > diethyl (5S)-4,66-dioxopentatriacontacyclo[67.2.2.16,33.05,40.06,40.07,32.08,42.09,30.010,43.011,60.012,29.013,59.014,18.015,28.016,25.017,22.019,58.020,56.021,53.023,52.024,35.026,34.027,31.036,51.038,50.039,47.041,46.044,61.045,63.048,64.049,54.055,64.057,62.063,65.037,74]tetraheptaconta-1(72),7(32),8,10(43),11,13,15,17,19(58),20(56),21(53),22,24,26,28,30,33(74),34,36,38,41,44(61),45,47,49,51,54,57(62),59,69(73),70-hentriacontaene-5,65-dicarboxylate > (5S)-4,66-dioxopentatriacontacyclo[67.2.2.16,33.05,40.06,40.07,32.08,42.09,30.010,43.011,60.012,29.013,59.014,18.015,28.016,25.017,22.019,58.020,56.021,53.023,52.024,35.026,34.027,31.036,51.038,50.039,47.041,46.044,61.045,63.048,64.049,54.055,64.057,62.063,65.037,74]tetraheptaconta-1(72),7(32),8,10(43),11,13,15,17,19(58),20(56),21(53),22,24,26,28,30,33(74),34,36,38,41,44(61),45,47,49,51,54,57(62),59,69(73),70-hentriacontaene-5,65-dicarboxylic acid diethyl ester > diethyl (5S)-4,66-dioxopentatriacontacyclo[67.2.2.16,33.05,40.06,40.07,32.08,42.09,30.010,43.011,60.012,29.013,59.014,18.015,28.016,25.017,22.019,58.020,56.021,53.023,52.024,35.026,34.027,31.036,51.038,50.039,47.041,46.044,61.045,63.048,64.049,54.055,64.057,62.063,65.037,74]tetraheptaconta-1(72),7(32),8,10(43),11,13,15,17,19(58),20(56),21(53),22,24,26,28,30,33(74),34,36,38,41,44(61),45,47,49,51,54,57(62),59,69(73),70-hentriacontaene-5,65-dicarboxylate > diethyl (5S)-4,66-dioxopentatriacontacyclo[67.2.2.16,33.05,40.06,40.07,32.08,42.09,30.010,43.011,60.012,29.013,59.014,18.015,28.016,25.017,22.019,58.020,56.021,53.023,52.024,35.026,34.027,31.036,51.038,50.039,47.041,46.044,61.045,63.048,64.049,54.055,64.057,62.063,65.037,74]tetraheptaconta-1(72),7(32),8,10(43),11,13,15,17,19(58),20(56),21(53),22,24,26,28,30,33(74),34,36,38,41,44(61),45,47,49,51,54,57(62),59,69(73),70-hentriacontaene-5,65-dicarboxylate > diethyl (5S)-4,66-bis(oxidanylidene)pentatriacontacyclo[67.2.2.16,33.05,40.06,40.07,32.08,42.09,30.010,43.011,60.012,29.013,59.014,18.015,28.016,25.017,22.019,58.020,56.021,53.023,52.024,35.026,34.027,31.036,51.038,50.039,47.041,46.044,61.045,63.048,64.049,54.055,64.057,62.063,65.037,74]tetraheptaconta-1(72),7(32),8,10(43),11,13,15,17,19(58),20(56),21(53),22,24,26,28,30,33(74),34,36,38,41,44(61),45,47,49,51,54,57(62),59,69(73),70-hentriacontaene-5,65-dicarboxylate > (5S)-4,66-diketopentatriacontacyclo[67.2.2.16,33.05,40.06,40.07,32.08,42.09,30.010,43.011,60.012,29.013,59.014,18.015,28.016,25.017,22.019,58.020,56.021,53.023,52.024,35.026,34.027,31.036,51.038,50.039,47.041,46.044,61.045,63.048,64.049,54.055,64.057,62.063,65.037,74]tetraheptaconta-1(72),7(32),8,10(43),11,13,15,17,19(58),20(56),21(53),22,24,26,28,30,33(74),34,36,38,41,44(61),45,47,49,51,54,57(62),59,69(73),70-hentriacontaene-5,65-dicarboxylic acid diethyl ester > InChI=1S/C80H22O6/c1-3-85-73(83)75-15(81)11-9-13-5-7-14(8-6-13)10-12-16(82)76(74(84)86-4-2)78-67-53-45-34-26-19-17-18-20-25(19)38(45)46-35-27(20)24-29-22(18)31-30-21(17)28-23(26)32-39-47-36(28)41(30)51-52-42(31)37(29)48-40-33(24)44(35)56-60-50(40)62-58(48)66(52)77(75)65(51)57(47)61-49(39)59(55(67)43(32)34)69(78)63-64(72(62)80(75,77)71(61)63)70(60)79(76,78)68(56)54(46)53/h5-8H,3-4,9-12H2,1-2H3/t75-,76?,77?,78?,79?,80?/m0/s1 > STHCOIUVQWTCEL-MZXCYIOGSA-N > 13.6 > 1078.14163842 > C80H22O6 > 1079.0 > CCOC(=O)C12C(=O)CCC3=CC=C(CCC(=O)C4(C56C47C8=C9C4=C%10C%11=C%12C4=C4C%13=C%14C%15=C%16C11C22C%14=C%14C%17=C%13C%12=C%12C%17=C%13C%17=C%18C%19=C%20C%21=C%22C(=C%23C%20=C%20C%19=C%19C%17=C%12C%11=C%19C%11=C%20C(=C%235)C8=C%10%11)C6=C(C%16=C7C9=C4%15)C1=C%22C1=C%21C%18=C%13C%14=C21)C(=O)OCC)C=C3 > CCOC(=O)[C@]12C(=O)CCC3=CC=C(CCC(=O)C4(C56C47C8=C9C4=C%10C%11=C%12C4=C4C%13=C%14C%15=C%16C11C22C%14=C%14C%17=C%13C%12=C%12C%17=C%13C%17=C%18C%19=C%20C%21=C%22C(=C%23C%20=C%20C%19=C%19C%17=C%12C%11=C%19C%11=C%20C(=C%235)C8=C%10%11)C6=C(C%16=C7C9=C4%15)C1=C%22C1=C%21C%18=C%13C%14=C21)C(=O)OCC)C=C3 > 86.7 > 1078.14163842 > 0 > 86 > 1 > 2 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 12 40 6 13 17 8 13 23 8 14 18 8 14 24 8 15 17 8 15 25 8 16 18 8 16 26 8 17 18 8 19 29 8 19 33 8 20 30 8 20 34 8 21 27 8 21 35 8 22 28 8 22 36 8 23 27 8 23 31 8 24 28 8 24 32 8 25 29 8 25 31 8 26 30 8 26 32 8 27 41 8 28 42 8 29 45 8 30 46 8 31 43 8 32 44 8 33 34 8 33 47 8 34 48 8 35 36 8 35 49 8 36 50 8 41 43 8 41 53 8 42 44 8 42 54 8 43 51 8 44 52 8 45 51 8 45 55 8 46 52 8 46 56 8 47 55 8 47 57 8 48 56 8 48 57 8 49 53 8 49 58 8 50 54 8 50 59 8 51 60 8 52 61 8 53 62 8 54 63 8 55 64 8 56 65 8 57 66 8 58 59 8 58 67 8 59 68 8 60 62 8 60 64 8 61 63 8 61 65 8 62 67 8 63 68 8 64 69 8 65 70 8 66 69 8 66 70 8 67 72 8 68 73 8 69 72 8 70 73 8 72 73 8 79 83 8 79 84 8 8 19 3 80 85 8 80 86 8 83 85 8 84 86 8 9 20 3 $$$$