37459 -OEChem-05012417432D 58 62 0 1 0 0 0 0 0999 V2000 4.1472 -3.0073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1885 -0.2761 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.3330 -2.4267 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.1270 -0.7280 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2248 -1.8086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9026 -3.3293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3555 -1.9559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2828 -0.8734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1187 0.7632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9883 1.3366 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.9831 -0.1346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8893 0.9028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4722 -4.2320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.8989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6036 -4.0425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7658 2.3116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7902 1.3366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8405 -0.6180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0127 2.3116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3893 3.0934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3893 3.0934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6585 0.8733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6838 -0.1106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7335 2.4509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0237 4.0688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3455 3.4176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9949 4.2320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8970 -1.0879 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4856 -2.3711 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8236 -1.6479 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7389 -1.8910 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1860 -2.5523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0350 -0.3050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6804 -1.0202 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8710 1.3316 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5163 0.6164 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1995 1.6533 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9126 -3.9651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2054 -4.7916 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0319 -4.4988 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2668 -2.3393 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4404 -2.6321 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7332 -3.4586 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1615 -4.4771 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0382 -4.4847 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0458 -3.6079 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7114 -2.7501 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8492 -1.2379 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5714 2.0426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3993 2.7963 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9479 3.3624 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2513 3.6979 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1861 1.1990 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2274 -0.4088 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3526 1.9618 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4158 4.5490 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7321 3.5076 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7706 4.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3 1 1 1 0 0 0 1 47 1 0 0 0 0 2 4 1 0 0 0 0 2 8 1 0 0 0 0 2 9 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 3 7 1 0 0 0 0 4 5 1 0 0 0 0 4 11 1 0 0 0 0 4 28 1 1 0 0 0 5 29 1 0 0 0 0 5 30 1 0 0 0 0 6 13 1 0 0 0 0 6 14 1 0 0 0 0 6 15 1 0 0 0 0 7 8 1 0 0 0 0 7 31 1 0 0 0 0 7 32 1 0 0 0 0 8 33 1 0 0 0 0 8 34 1 0 0 0 0 9 10 1 0 0 0 0 9 35 1 0 0 0 0 9 36 1 0 0 0 0 10 12 1 0 0 0 0 10 16 1 0 0 0 0 10 37 1 6 0 0 0 11 12 1 0 0 0 0 11 18 2 0 0 0 0 12 17 2 0 0 0 0 13 38 1 0 0 0 0 13 39 1 0 0 0 0 13 40 1 0 0 0 0 14 41 1 0 0 0 0 14 42 1 0 0 0 0 14 43 1 0 0 0 0 15 44 1 0 0 0 0 15 45 1 0 0 0 0 15 46 1 0 0 0 0 16 20 1 0 0 0 0 16 24 2 0 0 0 0 17 19 1 0 0 0 0 17 22 1 0 0 0 0 18 23 1 0 0 0 0 18 48 1 0 0 0 0 19 21 1 0 0 0 0 19 49 1 0 0 0 0 19 50 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 51 1 0 0 0 0 21 52 1 0 0 0 0 22 23 2 0 0 0 0 22 53 1 0 0 0 0 23 54 1 0 0 0 0 24 26 1 0 0 0 0 24 55 1 0 0 0 0 25 27 1 0 0 0 0 25 56 1 0 0 0 0 26 27 2 0 0 0 0 26 57 1 0 0 0 0 27 58 1 0 0 0 0 M END > 37459 > 1 > 553 > 2 > 1 > 1 > AAADceB6IAAAAAAAAAAAAAAAAAAAAAAAAAA8eIEABgAAAACxQAAAHgAACAAAD2zBmAQyAIMAAgCAAiBCAACCAAAgAAAIiAAIBIgIICKAkRGEYAhmgACIiAeQwPAPgAACAAAQAAAAAAQAACAAAAAAAAAAAA== > (1S,6S,8S)-6-tert-butyl-3-azapentacyclo[11.8.1.03,8.09,22.016,21]docosa-9,11,13(22),16,18,20-hexaen-6-ol > (1S,6S,8S)-6-tert-butyl-3-azapentacyclo[11.8.1.03,8.09,22.016,21]docosa-9,11,13(22),16,18,20-hexaen-6-ol > (1S,6S,8S)-6-tert-butyl-3-azapentacyclo[11.8.1.03,8.09,22.016,21]docosa-9,11,13(22),16,18,20-hexaen-6-ol > (1S,6S,8S)-6-tert-butyl-3-azapentacyclo[11.8.1.03,8.09,22.016,21]docosa-9,11,13(22),16,18,20-hexaen-6-ol > (1S,6S,8S)-6-tert-butyl-3-azapentacyclo[11.8.1.03,8.09,22.016,21]docosa-9,11,13(22),16,18,20-hexaen-6-ol > (1S,6S,8S)-6-tert-butyl-3-azapentacyclo[11.8.1.03,8.09,22.016,21]docosa-9,11,13(22),16,18,20-hexaen-6-ol > InChI=1S/C25H31NO/c1-24(2,3)25(27)13-14-26-16-21-19-9-5-4-7-17(19)11-12-18-8-6-10-20(23(18)21)22(26)15-25/h4-10,21-22,27H,11-16H2,1-3H3/t21-,22-,25-/m0/s1 > ZZJYIKPMDIWRSN-HWBMXIPRSA-N > 5 > 361.240564612 > C25H31NO > 361.5 > CC(C)(C)C1(CCN2CC3C4=CC=CC=C4CCC5=C3C(=CC=C5)C2C1)O > CC(C)(C)[C@@]1(CCN2C[C@H]3C4=CC=CC=C4CCC5=C3C(=CC=C5)[C@@H]2C1)O > 23.5 > 361.240564612 > 0 > 27 > 3 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 3 1 5 10 37 6 11 12 8 11 18 8 12 17 8 16 20 8 16 24 8 17 22 8 18 23 8 20 25 8 22 23 8 24 26 8 25 27 8 26 27 8 4 28 5 $$$$