44592945 -OEChem-03192400472D 50 55 0 1 0 0 0 0 0999 V2000 4.0157 -1.8319 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3957 2.2005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6118 0.3081 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5042 -1.1510 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.6564 -1.1510 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5803 -1.5337 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.4997 -2.5245 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2142 -0.2271 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5803 1.0794 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1449 -1.7759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0230 -0.7951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5329 -2.7557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5042 0.6967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8868 -0.2271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2984 -3.1229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0127 -1.9086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6564 0.6967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2737 -0.2271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3164 -1.7308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2129 -2.7233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0351 1.5328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2432 -0.3790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0014 1.4048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6028 0.4425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7819 3.1229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.0991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7394 0.1715 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5803 1.9294 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5022 -2.2826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7232 -1.5523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6384 -0.8704 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2454 -0.2164 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9734 -3.0228 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7397 -3.3402 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1188 0.7777 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5851 1.3114 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3787 -0.6046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3787 0.1503 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2269 -3.7388 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9130 -1.8997 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5850 -1.1719 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7133 -3.0893 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2790 2.1028 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0126 -0.9545 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3538 2.8834 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0214 3.6948 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2100 3.3624 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4904 1.4784 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6207 1.5895 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5096 0.7198 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 2 0 0 0 0 2 23 1 0 0 0 0 2 25 1 0 0 0 0 3 24 1 0 0 0 0 3 26 1 0 0 0 0 4 6 1 0 0 0 0 4 14 1 0 0 0 0 4 19 1 0 0 0 0 5 6 1 0 0 0 0 5 16 1 0 0 0 0 5 18 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 7 10 1 1 0 0 0 7 12 1 0 0 0 0 7 15 1 0 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 8 27 1 0 0 0 0 9 13 1 0 0 0 0 9 17 1 0 0 0 0 9 28 1 1 0 0 0 10 11 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 12 16 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 13 14 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 15 20 2 0 0 0 0 15 39 1 0 0 0 0 17 18 1 0 0 0 0 17 21 2 0 0 0 0 18 22 2 0 0 0 0 19 20 1 0 0 0 0 19 40 1 0 0 0 0 19 41 1 0 0 0 0 20 42 1 0 0 0 0 21 23 1 0 0 0 0 21 43 1 0 0 0 0 22 24 1 0 0 0 0 22 44 1 0 0 0 0 23 24 2 0 0 0 0 25 45 1 0 0 0 0 25 46 1 0 0 0 0 25 47 1 0 0 0 0 26 48 1 0 0 0 0 26 49 1 0 0 0 0 26 50 1 0 0 0 0 M END > 44592945 > 1 > 680 > 4 > 0 > 2 > AAADceB7MAAAAAAAAAAAAAAAAAAAAeIAAAA8WIEAAAAWLFixAAAAHgAAAAAADwzBmAYzxoMABACIAiVSUACCCAAhIgAIiAEO7IiNJjLEsZuEMCpuxRvK6Ce82POPoEABAgACQABAgAIEAASAAQAAAQAAAA== > (1S,8R,17R)-11,12-dimethoxy-5,15-diazahexacyclo[13.4.2.01,16.05,16.08,17.09,14]henicosa-2,9,11,13-tetraen-21-one > (1S,8R,17R)-11,12-dimethoxy-5,15-diazahexacyclo[13.4.2.01,16.05,16.08,17.09,14]heneicosa-2,9,11,13-tetraen-21-one > (1S,8R,17R)-11,12-dimethoxy-5,15-diazahexacyclo[13.4.2.01,16.05,16.08,17.09,14]henicosa-2,9,11,13-tetraen-21-one > (1S,8R,17R)-11,12-dimethoxy-5,15-diazahexacyclo[13.4.2.01,16.05,16.08,17.09,14]henicosa-2,9,11,13-tetraen-21-one > (1S,8R,17R)-11,12-dimethoxy-5,15-diazahexacyclo[13.4.2.01,16.05,16.08,17.09,14]henicosa-2,9,11,13-tetraen-21-one > (1S,8R,17R)-11,12-dimethoxy-5,15-diazahexacyclo[13.4.2.01,16.05,16.08,17.09,14]heneicosa-2,9,11,13-tetraen-21-one > InChI=1S/C21H24N2O3/c1-25-17-10-14-13-5-9-22-8-3-6-20-7-4-15(13)21(20,22)23(19(24)12-20)16(14)11-18(17)26-2/h3,6,10-11,13,15H,4-5,7-9,12H2,1-2H3/t13-,15+,20-,21?/m0/s1 > BOPPUHZKIKFBHH-BTMSGPRDSA-N > 2.1 > 352.17869263 > C21H24N2O3 > 352.4 > COC1=C(C=C2C(=C1)C3CCN4CC=CC56C4(C3CC5)N2C(=O)C6)OC > COC1=C(C=C2C(=C1)[C@@H]3CCN4CC=C[C@]56C4([C@@H]3CC5)N2C(=O)C6)OC > 42 > 352.17869263 > 0 > 26 > 3 > 1 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 17 18 8 17 21 8 18 22 8 21 23 8 22 24 8 23 24 8 6 8 3 7 10 5 9 28 5 $$$$