6603320 -OEChem-05052418462D 77 80 0 1 0 0 0 0 0999 V2000 5.7397 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 9.3057 8.7534 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0796 7.7293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4092 7.2160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3938 9.2160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5616 4.6842 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.8034 7.7291 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7616 5.7050 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7616 4.6634 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.5616 5.6842 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.6676 6.2188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6676 4.1495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8975 6.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4276 4.1842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8975 4.1600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4276 6.1842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9014 7.2083 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.2936 4.6842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2936 5.6842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0033 7.7361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9014 3.1600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4116 7.2257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2036 6.1910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7954 8.7707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9956 8.7360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8854 9.2776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3096 7.7534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2117 7.2326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1412 7.2294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1258 9.2293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2713 7.7227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2636 8.7227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1698 9.2568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9437 7.2259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5393 7.7094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3860 10.2160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7652 6.3250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2240 4.9723 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5681 6.5341 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0722 6.6886 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2740 6.6978 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2740 3.6705 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0722 3.6797 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2873 6.3183 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6832 5.6265 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0291 3.7092 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8262 3.7092 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6832 4.7418 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2873 4.0500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4377 6.8973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5057 4.1016 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9042 4.7918 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2814 3.1576 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9037 2.5400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5213 3.1624 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3416 7.4212 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8711 7.5294 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4070 8.6693 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9999 9.3560 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7370 5.8748 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2753 9.7596 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4772 9.7442 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1459 6.6094 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1210 9.8493 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4819 8.7210 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7056 9.5688 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8578 9.7925 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6316 6.6902 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4794 6.9139 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2558 7.7617 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8452 8.2487 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 8.0152 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2335 7.1700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0060 10.2207 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3813 10.8359 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7661 10.2112 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7397 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 77 1 0 0 0 0 2 27 1 0 0 0 0 2 33 1 0 0 0 0 3 28 1 0 0 0 0 3 34 1 0 0 0 0 4 31 1 0 0 0 0 4 35 1 0 0 0 0 5 32 1 0 0 0 0 5 36 1 0 0 0 0 6 10 1 0 0 0 0 6 12 1 0 0 0 0 6 14 1 0 0 0 0 7 17 1 0 0 0 0 7 24 1 0 0 0 0 7 56 1 0 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 8 13 1 1 0 0 0 8 37 1 0 0 0 0 9 12 1 0 0 0 0 9 15 1 6 0 0 0 9 38 1 0 0 0 0 10 11 1 0 0 0 0 10 16 1 0 0 0 0 10 39 1 6 0 0 0 11 40 1 0 0 0 0 11 41 1 0 0 0 0 12 42 1 0 0 0 0 12 43 1 0 0 0 0 17 13 1 6 0 0 0 13 44 1 0 0 0 0 13 45 1 0 0 0 0 14 18 1 0 0 0 0 14 46 1 0 0 0 0 14 47 1 0 0 0 0 15 21 1 0 0 0 0 15 48 1 0 0 0 0 15 49 1 0 0 0 0 16 19 1 0 0 0 0 16 22 2 0 0 0 0 17 20 1 0 0 0 0 17 50 1 0 0 0 0 18 19 1 0 0 0 0 18 51 1 0 0 0 0 18 52 1 0 0 0 0 19 23 2 0 0 0 0 20 25 1 0 0 0 0 20 29 2 0 0 0 0 21 53 1 0 0 0 0 21 54 1 0 0 0 0 21 55 1 0 0 0 0 22 27 1 0 0 0 0 22 57 1 0 0 0 0 23 28 1 0 0 0 0 23 60 1 0 0 0 0 24 26 1 0 0 0 0 24 58 1 0 0 0 0 24 59 1 0 0 0 0 25 26 1 0 0 0 0 25 30 2 0 0 0 0 26 61 1 0 0 0 0 26 62 1 0 0 0 0 27 28 2 0 0 0 0 29 31 1 0 0 0 0 29 63 1 0 0 0 0 30 32 1 0 0 0 0 30 64 1 0 0 0 0 31 32 2 0 0 0 0 33 65 1 0 0 0 0 33 66 1 0 0 0 0 33 67 1 0 0 0 0 34 68 1 0 0 0 0 34 69 1 0 0 0 0 34 70 1 0 0 0 0 35 71 1 0 0 0 0 35 72 1 0 0 0 0 35 73 1 0 0 0 0 36 74 1 0 0 0 0 36 75 1 0 0 0 0 36 76 1 0 0 0 0 M END > 6603320 > 1 > 679 > 6 > 2 > 7 > AAADcfB7OAAEAAAAAAAAAAAAAAAAAAAAAAA8eLECAAAAAACxQAAAHgAQAAAADSzBmAYyBoPABACAAiBCAACCCAAgIAAAiIAOjIgNJiKEsRuEMCpk0BGKqAew0PMOoAABAAAQQABAAAIAACCAAAAAAAAAAA== > (2S,3R,11bS)-2-[[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine;hydrochloride > (2S,3R,11bS)-2-[[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine;hydrochloride > (2S,3R,11bS)-2-[[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine;hydrochloride > (2S,3R,11bS)-2-[[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine;hydrochloride > (2S,3R,11bS)-2-[[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine;hydrochloride > (2S,3R,11bS)-2-[[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine;hydrochloride > InChI=1S/C29H40N2O4.ClH/c1-6-18-17-31-10-8-20-14-27(33-3)29(35-5)16-23(20)25(31)12-21(18)11-24-22-15-28(34-4)26(32-2)13-19(22)7-9-30-24;/h13-16,18,21,24-25,30H,6-12,17H2,1-5H3;1H/t18-,21-,24+,25-;/m0./s1 > HUEYSSLYFJVUIS-MRFSYGAJSA-N > 516.2754855 > C29H41ClN2O4 > 517.1 > CCC1CN2CCC3=CC(=C(C=C3C2CC1CC4C5=CC(=C(C=C5CCN4)OC)OC)OC)OC.Cl > CC[C@H]1CN2CCC3=CC(=C(C=C3[C@@H]2C[C@@H]1C[C@@H]4C5=CC(=C(C=C5CCN4)OC)OC)OC)OC.Cl > 52.2 > 516.2754855 > 0 > 36 > 4 > 0 > 0 > 0 > 0 > 2 > -1 > 1 5 255 > 10 39 6 17 13 6 16 19 8 16 22 8 19 23 8 20 25 8 20 29 8 22 27 8 23 28 8 25 30 8 27 28 8 29 31 8 30 32 8 31 32 8 8 13 5 9 15 6 $$$$