23955822 -OEChem-03282407032D 50 55 0 1 0 0 0 0 0999 V2000 7.2600 -1.8319 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8801 2.2005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6639 0.3081 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7716 -1.1510 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.6194 -1.1510 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6955 -1.5337 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7760 -2.5245 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0615 -0.2271 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.6955 1.0794 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.1309 -1.7759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2528 -0.7951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7429 -2.7557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7716 0.6967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3889 -0.2271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9774 -3.1229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2630 -1.9086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6194 0.6967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0020 -0.2271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9593 -1.7308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0629 -2.7233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2406 1.5328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0326 -0.3790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2744 1.4048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6730 0.4425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4938 3.1229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2758 1.0991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7126 0.3193 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6955 1.9294 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7736 -2.2826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5526 -1.5523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6373 -0.8704 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0303 -0.2164 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3024 -3.0228 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5361 -3.3402 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1569 0.7777 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6907 1.3114 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8970 -0.6046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8970 0.1503 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0488 -3.7388 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3628 -1.8997 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6908 -1.1719 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5624 -3.0893 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9968 2.1028 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2632 -0.9545 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9220 2.8834 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2544 3.6948 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0657 3.3624 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7853 1.4784 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6551 1.5895 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7662 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 6 4 1 1 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 6 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 1 0 0 0 9 13 1 0 0 0 0 9 17 1 0 0 0 0 9 28 1 6 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 > 23955822 > 1 > 680 > 4 > 0 > 2 > AAADceB7MAAAAAAAAAAAAAAAAAAAAeIAAAA8WIEAAAAWLFixAAAAHgAAAAAADwzBmAYzxoMABACIAiVSUACCCAAhIgAIiAEO7IiNJjLEsZuEMCpuxRvK6Ce82POPoEABAgACQABAgAIEAASAAQAAAQAAAA== > (1S,8R,16S,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,16S,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,16S,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,16S,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,16S,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,16S,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-GEOUXAIOSA-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@]56[C@]4([C@@H]3CC5)N2C(=O)C6)OC > 42 > 352.17869263 > 0 > 26 > 4 > 0 > 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 4 5 7 10 6 8 27 5 9 28 6 $$$$