10019039 -OEChem-03192405382D 46 51 0 1 0 0 0 0 0999 V2000 4.0157 -1.1201 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6118 1.0198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5042 -0.4393 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.6564 -0.4393 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5803 -0.8220 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.4997 -1.8128 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2142 0.4846 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5803 1.7912 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1449 -1.0641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0230 -0.0834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5329 -2.0440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5042 1.4085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8868 0.4846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2984 -2.4112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0127 -1.1969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6564 1.4085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2737 0.4846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3164 -1.0190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2129 -2.0116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0351 2.2445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2432 0.3327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6028 1.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0014 2.1165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.8108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7394 0.8832 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5803 2.6412 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5022 -1.5708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7232 -0.8406 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6384 -0.1587 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2454 0.4953 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9734 -2.3111 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7397 -2.6285 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1188 1.4894 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5851 2.0232 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3787 0.1072 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3787 0.8620 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2269 -3.0270 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9130 -1.1880 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5850 -0.4602 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7133 -2.3776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2790 2.8146 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0126 -0.2428 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6258 2.6099 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4904 2.1902 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6207 2.3013 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5096 1.4315 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 2 0 0 0 0 2 22 1 0 0 0 0 2 24 1 0 0 0 0 3 5 1 0 0 0 0 3 13 1 0 0 0 0 3 18 1 0 0 0 0 4 5 1 0 0 0 0 4 15 1 0 0 0 0 4 17 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 9 1 1 0 0 0 6 11 1 0 0 0 0 6 14 1 0 0 0 0 7 8 1 0 0 0 0 7 10 1 0 0 0 0 7 25 1 0 0 0 0 8 12 1 0 0 0 0 8 16 1 0 0 0 0 8 26 1 1 0 0 0 9 10 1 0 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 11 15 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 12 13 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 14 19 2 0 0 0 0 14 37 1 0 0 0 0 16 17 2 0 0 0 0 16 20 1 0 0 0 0 17 21 1 0 0 0 0 18 19 1 0 0 0 0 18 38 1 0 0 0 0 18 39 1 0 0 0 0 19 40 1 0 0 0 0 20 23 2 0 0 0 0 20 41 1 0 0 0 0 21 22 2 0 0 0 0 21 42 1 0 0 0 0 22 23 1 0 0 0 0 23 43 1 0 0 0 0 24 44 1 0 0 0 0 24 45 1 0 0 0 0 24 46 1 0 0 0 0 M END > 10019039 > 1 > 633 > 3 > 0 > 1 > AAADceB7MAAAAAAAAAAAAAAAAAAAAeIAAAA8WIEAAAAWLFixAAAAHgAAAAAADwzBmAYzxoMABACIAiVSUACCCAAhIgAIiAEObIiMJjLEsZuEMChuxRvI6Cec2POPoAAAAgACAABAAAAEAAQAAQAAAQAAAA== > (1S,8R,17R)-12-methoxy-5,15-diazahexacyclo[13.4.2.01,16.05,16.08,17.09,14]henicosa-2,9(14),10,12-tetraen-21-one > (1S,8R,17R)-12-methoxy-5,15-diazahexacyclo[13.4.2.01,16.05,16.08,17.09,14]heneicosa-2,9(14),10,12-tetraen-21-one > (1S,8R,17R)-12-methoxy-5,15-diazahexacyclo[13.4.2.01,16.05,16.08,17.09,14]henicosa-2,9(14),10,12-tetraen-21-one > (1S,8R,17R)-12-methoxy-5,15-diazahexacyclo[13.4.2.01,16.05,16.08,17.09,14]henicosa-2,9(14),10,12-tetraen-21-one > (1S,8R,17R)-12-methoxy-5,15-diazahexacyclo[13.4.2.01,16.05,16.08,17.09,14]henicosa-2,9(14),10,12-tetraen-21-one > (1S,8R,17R)-12-methoxy-5,15-diazahexacyclo[13.4.2.01,16.05,16.08,17.09,14]heneicosa-2,9(14),10,12-tetraen-21-one > InChI=1S/C20H22N2O2/c1-24-13-3-4-15-14-6-10-21-9-2-7-19-8-5-16(14)20(19,21)22(17(15)11-13)18(23)12-19/h2-4,7,11,14,16H,5-6,8-10,12H2,1H3/t14-,16+,19-,20?/m0/s1 > GHZIYRPRBMQWSP-UFANWAFLSA-N > 2.2 > 322.168127949 > C20H22N2O2 > 322.4 > COC1=CC2=C(C=C1)C3CCN4CC=CC56C4(C3CC5)N2C(=O)C6 > COC1=CC2=C(C=C1)[C@@H]3CCN4CC=C[C@]56C4([C@@H]3CC5)N2C(=O)C6 > 32.8 > 322.168127949 > 0 > 24 > 3 > 1 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 16 17 8 16 20 8 17 21 8 20 23 8 21 22 8 22 23 8 5 7 3 6 9 5 8 26 5 $$$$