440585 -OEChem-06181317312D 84 89 0 1 0 0 0 0 0999 V2000 4.3567 5.4836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4977 -5.4839 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5344 -0.5708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3567 3.4836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5440 -3.4844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2779 0.4091 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7548 3.9628 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.9298 -4.0652 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 7.8487 3.4490 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0358 -3.5305 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.9548 3.9836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1298 -4.0444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7548 5.0044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9057 -5.1066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8487 5.5183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9880 -5.5993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9548 4.9836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8372 2.4490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1066 -5.0441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0474 -2.5306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6189 3.4595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0888 3.4836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8053 -3.5820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2756 -3.5245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6974 1.9391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9192 -2.0406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0888 5.4836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2293 -5.5240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2227 3.9836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2227 4.9836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3982 -4.0043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3751 -5.0041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6858 0.9391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5691 2.4290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7794 -2.5506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9307 -1.0407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5460 0.4291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6627 -1.0607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6511 -2.0607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8025 -0.5508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4293 1.9190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4177 0.9191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3567 6.4836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4746 -6.4836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3826 3.1338 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5769 -3.2278 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3656 4.8984 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9639 5.5881 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1012 -5.6949 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5188 -5.0146 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2424 5.9973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4441 5.9881 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5726 -6.0596 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3704 -6.0873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2279 2.5638 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6184 1.8689 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8421 -1.9456 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4356 -2.6312 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3068 2.9237 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1546 3.1474 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9310 3.9952 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0888 2.8636 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1049 -4.1248 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3481 -3.2824 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5057 -3.0392 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2899 -2.9046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0888 6.1036 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2150 -6.1438 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1453 0.6354 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5763 3.0490 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7722 -3.1706 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3974 -0.7245 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1844 -2.3769 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8096 0.0692 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9698 2.2228 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3567 2.8636 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.7819 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9767 6.4836 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3567 7.1036 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7367 6.4836 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8548 -6.4693 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4602 -7.1035 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0944 -6.4980 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8184 0.7129 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 30 1 0 0 0 0 1 43 1 0 0 0 0 2 32 1 0 0 0 0 2 44 1 0 0 0 0 3 37 1 0 0 0 0 3 38 1 0 0 0 0 4 29 1 0 0 0 0 4 76 1 0 0 0 0 5 31 1 0 0 0 0 5 77 1 0 0 0 0 6 42 1 0 0 0 0 6 84 1 0 0 0 0 7 9 1 0 0 0 0 7 13 1 0 0 0 0 7 21 1 0 0 0 0 8 10 1 0 0 0 0 8 14 1 0 0 0 0 8 23 1 0 0 0 0 9 11 1 0 0 0 0 9 18 1 6 0 0 0 9 45 1 0 0 0 0 10 12 1 0 0 0 0 10 20 1 6 0 0 0 10 46 1 0 0 0 0 11 17 1 0 0 0 0 11 22 2 0 0 0 0 12 19 1 0 0 0 0 12 24 2 0 0 0 0 13 15 1 0 0 0 0 13 47 1 0 0 0 0 13 48 1 0 0 0 0 14 16 1 0 0 0 0 14 49 1 0 0 0 0 14 50 1 0 0 0 0 15 17 1 0 0 0 0 15 51 1 0 0 0 0 15 52 1 0 0 0 0 16 19 1 0 0 0 0 16 53 1 0 0 0 0 16 54 1 0 0 0 0 17 27 2 0 0 0 0 18 25 1 0 0 0 0 18 55 1 0 0 0 0 18 56 1 0 0 0 0 19 28 2 0 0 0 0 20 26 1 0 0 0 0 20 57 1 0 0 0 0 20 58 1 0 0 0 0 21 59 1 0 0 0 0 21 60 1 0 0 0 0 21 61 1 0 0 0 0 22 29 1 0 0 0 0 22 62 1 0 0 0 0 23 63 1 0 0 0 0 23 64 1 0 0 0 0 23 65 1 0 0 0 0 24 31 1 0 0 0 0 24 66 1 0 0 0 0 25 33 2 0 0 0 0 25 34 1 0 0 0 0 26 35 2 0 0 0 0 26 36 1 0 0 0 0 27 30 1 0 0 0 0 27 67 1 0 0 0 0 28 32 1 0 0 0 0 28 68 1 0 0 0 0 29 30 2 0 0 0 0 31 32 2 0 0 0 0 33 37 1 0 0 0 0 33 69 1 0 0 0 0 34 41 2 0 0 0 0 34 70 1 0 0 0 0 35 39 1 0 0 0 0 35 71 1 0 0 0 0 36 40 2 0 0 0 0 36 72 1 0 0 0 0 37 42 2 0 0 0 0 38 39 2 0 0 0 0 38 40 1 0 0 0 0 39 73 1 0 0 0 0 40 74 1 0 0 0 0 41 42 1 0 0 0 0 41 75 1 0 0 0 0 43 78 1 0 0 0 0 43 79 1 0 0 0 0 43 80 1 0 0 0 0 44 81 1 0 0 0 0 44 82 1 0 0 0 0 44 83 1 0 0 0 0 M END > 440585 > 1 > 902 > 8 > 3 > 8 > AAADcfB/OAAAAAAAAAAAAAAAAAAAAAAAAAA8eMGCAAAAAACxVAAAHgAACAAADCzBmAYyBoMABgCAAiBCAACCCAAgIAAIiAAOjIgNJiKGsRuGeCvkwBGLuAew0PMOoAABAAAQQABAAAIAACCAAAAAAAAAAA== > (1S)-1-[[4-[2-hydroxy-5-[[(1R)-7-hydroxy-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenoxy]phenyl]methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol > (1S)-1-[[4-[2-hydroxy-5-[[(1R)-7-hydroxy-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenoxy]phenyl]methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol > (1S)-1-[[4-[2-hydroxy-5-[[(1R)-7-hydroxy-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenoxy]phenyl]methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol > (1S)-6-methoxy-1-[[4-[5-[[(1R)-6-methoxy-2-methyl-7-oxidanyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2-oxidanyl-phenoxy]phenyl]methyl]-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol > (1S)-1-[4-[2-hydroxy-5-[[(1R)-7-hydroxy-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenoxy]benzyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol > InChI=1S/C36H40N2O6/c1-37-13-11-24-18-34(42-3)32(40)20-27(24)29(37)15-22-5-8-26(9-6-22)44-36-17-23(7-10-31(36)39)16-30-28-21-33(41)35(43-4)19-25(28)12-14-38(30)2/h5-10,17-21,29-30,39-41H,11-16H2,1-4H3/t29-,30+/m0/s1 > FDABVSXGAMFQQH-XZWHSSHBSA-N > 6 > 596.288637 > C36H40N2O6 > 596.7126 > CN1CCC2=CC(=C(C=C2C1CC3=CC=C(C=C3)OC4=C(C=CC(=C4)CC5C6=CC(=C(C=C6CCN5C)OC)O)O)O)OC > CN1CCC2=CC(=C(C=C2[C@@H]1CC3=CC=C(C=C3)OC4=C(C=CC(=C4)C[C@@H]5C6=CC(=C(C=C6CCN5C)OC)O)O)O)OC > 94.9 > 596.288637 > 0 > 44 > 2 > 0 > 0 > 0 > 0 > 1 > 20 > 1 5 255 > 10 20 6 11 17 8 11 22 8 12 19 8 12 24 8 17 27 8 19 28 8 22 29 8 24 31 8 25 33 8 25 34 8 26 35 8 26 36 8 27 30 8 28 32 8 29 30 8 31 32 8 33 37 8 34 41 8 35 39 8 36 40 8 37 42 8 38 39 8 38 40 8 41 42 8 9 18 6 $$$$