Mrv2104 05272302062D 30 34 0 0 0 0 999 V2000 -1.2812 -1.8647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5107 -2.1596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1299 -1.6397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7705 -1.1198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5410 -1.4147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6709 -2.2294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0304 -2.7493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6536 -3.2898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4970 -4.0999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1202 -4.6404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4333 -3.0204 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2598 -2.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3808 -2.9743 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6062 -3.4569 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4859 -2.3576 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8597 -1.6221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2757 -1.0394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4884 -0.2423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2851 -0.0279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8690 -0.6106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6657 -0.3963 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8784 0.4008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6564 -1.4077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8612 -3.0923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0595 -0.7730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6095 -0.0816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6406 -0.3051 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.1299 -0.0103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7705 -0.5302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6406 -1.3449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 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 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 8 11 2 0 0 0 0 7 12 1 0 0 0 0 3 12 1 0 0 0 0 12 13 1 0 0 0 0 7 14 1 0 0 0 0 6 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 5 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 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 20 23 2 0 0 0 0 16 23 1 0 0 0 0 15 24 1 0 0 0 0 5 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 4 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 3 30 1 0 0 0 0 M CHG 1 27 1 M RAD 1 27 2 M END > NP0339790 > NP-MRD > CCC12C=CC[N+]3CCC4(C(N(C)C5=C4C=CC(OC)=C5)C(O)(C1O)C(=O)OC)C23 > InChI=1/C23H30N2O5/c1-5-21-9-6-11-25-12-10-22(17(21)25)15-8-7-14(29-3)13-16(15)24(2)18(22)23(28,19(21)26)20(27)30-4/h6-9,13,17-19,26,28H,5,10-12H2,1-4H3/q+1 > UGWNULLIAGYONC-UHFFFAOYNA-N > C23H30N2O5 > 414.501 > 414.214923494 > 5 > 60 > 44.42715618730216 > 1 > 2 > 1 > 0 > 12-ethyl-10,11-dihydroxy-5-methoxy-10-(methoxycarbonyl)-8-methyl-8,16lambda5-diazapentacyclo[10.6.1.0^{1,9}.0^{2,7}.0^{16,19}]nonadeca-2(7),3,5,13-tetraen-16-ylium-16-yl > -1.839461855138412 > 0 > 5 > 1 > 13.845894922403676 > 10.878443286730864 > -0.307346322414451 > 92.82000000000001 > 113.1466 > 4 > 1 > 12-ethyl-10,11-dihydroxy-5-methoxy-10-(methoxycarbonyl)-8-methyl-8,16lambda5-diazapentacyclo[10.6.1.0^{1,9}.0^{2,7}.0^{16,19}]nonadeca-2(7),3,5,13-tetraen-16-ylium-16-yl > 0 > NP0339790 > 17-O-deacetylvindoline $$$$