Mrv0541 03111513042D 40 47 0 0 0 0 999 V2000 11.3820 -2.5271 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.7912 -1.9497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9387 -1.9497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3878 -2.5497 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.1961 -1.2297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7749 -0.5191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5442 -1.2485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9491 -0.5285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6810 -2.2520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1015 -2.2126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1054 -1.3934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9654 -2.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2571 -2.2391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8090 -2.6256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5205 -2.2193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8168 -0.9872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5244 -1.4001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3834 -3.3713 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.3743 -3.3493 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7849 -3.9282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3856 -2.8933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9635 -3.9275 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.6796 -1.4293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2563 -1.4094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9730 -0.9914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1432 -3.1909 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6696 -3.2308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9666 -4.7507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6815 -5.1647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2507 -5.1628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4033 -4.7601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0212 0.2692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3475 0.7470 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.6849 0.2541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8147 0.4916 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9683 -3.7564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2417 -0.9905 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2433 -0.1634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9595 0.2483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9599 1.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3 2 1 0 0 0 0 6 5 1 0 0 0 0 8 6 2 0 0 0 0 8 7 1 0 0 0 0 4 3 1 0 0 0 0 7 3 2 0 0 0 0 1 2 1 0 0 0 0 5 2 2 0 0 0 0 10 1 1 0 0 0 0 11 5 1 0 0 0 0 12 9 1 0 0 0 0 13 12 2 0 0 0 0 14 10 1 0 0 0 0 11 10 2 0 0 0 0 15 14 2 0 0 0 0 16 11 1 0 0 0 0 17 15 1 0 0 0 0 17 16 2 0 0 0 0 9 4 1 0 0 0 0 4 18 1 0 0 0 0 1 19 1 0 0 0 0 20 19 1 0 0 0 0 19 21 1 6 0 0 0 18 21 1 6 0 0 0 20 22 1 0 0 0 0 22 18 1 0 0 0 0 9 23 2 0 0 0 0 13 24 1 0 0 0 0 24 25 2 0 0 0 0 23 25 1 0 0 0 0 23 7 1 0 0 0 0 19 26 1 0 0 0 0 18 27 1 0 0 0 0 28 22 1 0 0 0 0 28 29 1 0 0 0 0 28 30 2 0 0 0 0 29 31 1 0 0 0 0 32 6 1 0 0 0 0 33 32 1 0 0 0 0 34 8 1 0 0 0 0 34 33 1 0 0 0 0 32 35 2 0 0 0 0 22 36 1 1 0 0 0 17 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 M END > CHEBI:85114 > KT 5926 > An organic heterooctacyclic compound that is 5-propoxy-1H,1'H-2,2'-biindole in which the nitrogens have undergone formal oxidative coupling to positions 2 and 5 of methyl (3R)-3-hydroxy-2-methyltetrahydrofuran-3-carboxylate (the 2S,3R,5R product), and in which the 3 and 3' positions of the biindole moiety have also undergone formal oxidative coupling to positions 3 and 4 of 1,5-dihydro-2H-pyrrol-2-one. > 3 > KT5926; KT-5926; 9-hydroxy-9-methoxycarbonyl-8-methyl-14-n-propoxy-2,3,9,10-tetrahydro-8,11-epoxy-1H,8H,11H-2,7b,11a-triazadibenzo(a,g)cycloocta[cde]trinden-1-one > methyl (5S,6R,8R)-6-hydroxy-5-methyl-13-oxo-11-propoxy-5,6,7,8,14,15-hexahydro-13H-5,8-epoxy-4b,8a,14-triazadibenzo[b,h]cycloocta[1,2,3,4-jkl]cyclopenta[e]-as-indacene-6-carboxylate > C30H27N3O6 > 525.55190 > 525.18999 > 0 > CCCOc1ccc2n3[C@H]4C[C@](O)(C(=O)OC)[C@](C)(O4)n4c5ccccc5c5c6CNC(=O)c6c(c2c1)c3c45 > InChI=1S/C30H27N3O6/c1-4-11-38-15-9-10-19-17(12-15)23-24-18(14-31-27(24)34)22-16-7-5-6-8-20(16)33-26(22)25(23)32(19)21-13-30(36,28(35)37-3)29(33,2)39-21/h5-10,12,21,36H,4,11,13-14H2,1-3H3,(H,31,34)/t21-,29+,30+/m1/s1 > ZZWAFVPZTZSAEM-RIGQTMPJSA-N > 126643-38-7 > 24302813 > 126643-38-7 > 1659814; 2325635; 7954419; 8182431; 8529881; 9240372; 9635507 $$$$