Mrv1652304272222562D 30 34 0 0 1 0 999 V2000 3.2932 -1.9078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0950 -2.1024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7995 -1.6731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9940 -0.8713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5647 -0.1669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7629 0.0277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0585 -0.4016 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8639 -1.2034 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.1533 -1.2986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7274 -0.5031 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3561 0.0312 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.2077 0.8427 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.0256 0.8394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7635 0.4705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2454 -0.1991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3610 -1.0160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0837 -1.7930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4771 -2.3521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6801 -2.5653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8753 -2.3837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2472 -1.8489 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4702 -1.5716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3218 -0.7600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9504 -0.2258 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.8021 0.5858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4307 1.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0251 0.8631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1233 1.6746 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8758 -1.3146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3501 1.6553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 4 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 8 7 1 1 0 0 0 1 8 1 0 0 0 0 8 9 1 0 0 0 0 10 9 1 6 0 0 0 10 11 1 0 0 0 0 11 7 1 6 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 24 23 1 1 0 0 0 10 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 12 26 1 0 0 0 0 25 27 1 0 0 0 0 27 28 2 0 0 0 0 21 29 1 0 0 0 0 10 29 1 0 0 0 0 12 30 1 1 0 0 0 M END > NP0050375 > NP-MRD > O[C@]12CC\C=C/CCCCN3CC[C@@H](C(C=O)=C1)[C@]1(C[C@@H]4C=CCCCCN4[C@@H]21)C3 > InChI=1S/C26H38N2O2/c29-19-21-17-26(30)13-8-4-1-2-5-9-14-27-16-12-23(21)25(20-27)18-22-11-7-3-6-10-15-28(22)24(25)26/h1,4,7,11,17,19,22-24,30H,2-3,5-6,8-10,12-16,18,20H2/b4-1-,11-7?/t22-,23-,24+,25-,26+/m0/s1 > VGYIUIBYSYNRNZ-DXVPDLRZSA-N > C26H38N2O2 > 410.602 > 410.293328472 > 4 > 68 > 47.36501702249399 > 1 > 1 > 0 > 1 > (1R,2R,4R,12R,13R,16Z)-13-hydroxy-11,22-diazapentacyclo[11.11.2.1^{2,22}.0^{2,12}.0^{4,11}]heptacosa-5,16,25-triene-25-carbaldehyde > 3.77 > 3.2796063800000015 > -3.60 > 0 > 5 > 2 > 13.735157153165023 > 10.302453180218517 > 43.78 > 125.38579999999996 > 1 > 1 > 1.02e-01 g/l > (1R,2R,4R,12R,13R,16Z)-13-hydroxy-11,22-diazapentacyclo[11.11.2.1^{2,22}.0^{2,12}.0^{4,11}]heptacosa-5,16,25-triene-25-carbaldehyde > 0 > NP0050375 > (+)-Ircinal A $$$$