6918287 Wcorina 10100417263D 1 1.00000 0.00000 CORINA evaluation license 3.40 0067 02.08.2006 67 73 0 1 0 0 0 0 0999 V2000 0.2495 1.2826 -0.4516 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2166 -2.7883 1.1057 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5780 3.7036 -1.6665 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9138 0.2457 -3.8117 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.9514 -0.7711 -5.2375 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1579 -1.4273 2.6175 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2638 -0.9941 -2.0006 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3542 -0.4346 0.6328 C 0 0 1 0 0 0 0 0 0 0 0 0 2.0271 -1.7873 0.4866 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3795 -1.7221 1.1947 C 0 0 1 0 0 0 0 0 0 0 0 0 0.1196 -0.1555 -0.2068 C 0 0 2 0 0 0 0 0 0 0 0 0 1.1335 -0.1328 2.1165 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3182 0.5826 0.0713 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1951 -2.1297 -0.9903 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1251 -0.8272 -1.5653 C 0 0 1 0 0 0 0 0 0 0 0 0 4.3558 -0.7234 0.5963 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5014 -0.1308 2.8105 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8047 -2.1753 -1.6227 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6906 0.5008 0.0554 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5648 1.5787 -0.5360 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4180 -1.4872 3.3700 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1619 -1.0923 4.8259 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3324 -1.2049 5.8047 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8485 0.1721 5.3461 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3537 1.5785 -0.5054 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2453 2.6631 -1.0996 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6376 2.6292 -1.0546 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1933 -1.7898 -1.1951 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6863 -0.4156 -3.1423 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0304 -0.5772 -3.5636 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4540 0.0028 -4.7081 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8463 -0.1646 -5.1446 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4726 0.3918 -6.3538 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8318 -0.8699 -4.5123 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7481 -0.0235 -6.3335 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8413 -2.7071 1.1263 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7912 -0.3810 0.3480 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6629 0.8441 2.2274 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4979 -0.9006 2.5577 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8017 -1.3672 -1.4790 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6742 -3.1036 -1.0909 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6254 -0.1650 -2.2718 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0664 -0.4240 1.3667 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9032 -1.2098 -0.2111 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3526 0.0436 3.8761 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1331 0.6582 2.4023 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8971 -2.4834 -2.6642 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1947 -2.9046 -1.0896 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8154 -2.5015 3.3332 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1382 -0.7985 2.9281 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1651 -1.3166 5.2054 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5844 -3.6810 1.0516 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4826 0.7227 4.6513 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3032 0.7801 6.0681 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1056 -1.5030 6.8284 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2849 -1.5603 5.4116 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4335 1.6005 -0.5144 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1852 3.4633 -1.4680 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6897 -1.1449 -0.4700 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9391 -2.2464 -1.8458 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6427 -2.5704 -0.6699 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3695 4.4195 -1.0507 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7157 -1.1638 -2.9697 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7687 0.5894 -5.3020 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0017 1.0090 -7.1047 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7248 -1.4140 -3.5855 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4930 0.2067 -7.0809 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 20 1 0 0 0 0 2 9 1 0 0 0 0 2 52 1 0 0 0 0 3 26 1 0 0 0 0 3 62 1 0 0 0 0 4 29 2 0 0 0 0 5 34 1 0 0 0 0 5 35 1 0 0 0 0 6 10 1 0 0 0 0 6 17 1 0 0 0 0 6 21 1 0 0 0 0 7 15 1 0 0 0 0 7 28 1 0 0 0 0 7 29 1 0 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 8 12 1 0 0 0 0 8 13 1 0 0 0 0 9 10 1 0 0 0 0 9 14 1 0 0 0 0 10 16 1 0 0 0 0 10 36 1 0 0 0 0 11 15 1 0 0 0 0 11 37 1 0 0 0 0 12 17 1 0 0 0 0 12 38 1 0 0 0 0 12 39 1 0 0 0 0 13 19 2 0 0 0 0 13 20 1 0 0 0 0 14 18 1 0 0 0 0 14 40 1 0 0 0 0 14 41 1 0 0 0 0 15 18 1 0 0 0 0 15 42 1 0 0 0 0 16 19 1 0 0 0 0 16 43 1 0 0 0 0 16 44 1 0 0 0 0 17 45 1 0 0 0 0 17 46 1 0 0 0 0 18 47 1 0 0 0 0 18 48 1 0 0 0 0 19 25 1 0 0 0 0 20 26 2 0 0 0 0 21 22 1 0 0 0 0 21 49 1 0 0 0 0 21 50 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 51 1 0 0 0 0 23 24 1 0 0 0 0 23 55 1 0 0 0 0 23 56 1 0 0 0 0 24 53 1 0 0 0 0 24 54 1 0 0 0 0 25 27 2 0 0 0 0 25 57 1 0 0 0 0 26 27 1 0 0 0 0 27 58 1 0 0 0 0 28 59 1 0 0 0 0 28 60 1 0 0 0 0 28 61 1 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 30 63 1 0 0 0 0 31 32 1 0 0 0 0 31 64 1 0 0 0 0 32 33 1 0 0 0 0 32 34 2 0 0 0 0 33 35 2 0 0 0 0 33 65 1 0 0 0 0 34 66 1 0 0 0 0 35 67 1 0 0 0 0 M END > 6918287 > 1 > 893 > 6 > 3 > 5 > AAADcfB7OAAEAAAAAAAAAAAAGAAAASJAAAA8YMEAAAAWAEjxwAAAHgAACAAAD3zhmAYyBoMABkCIAilSkACCCAAkIAAIiAEOiMgPJjKGtRuHeSOlxhGbuYfw8P8PoAABAAAYQADQgAaQADSgAAAAAAAAAA== > (E)-N-[(4R,4aS,7R,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-dihydroxy-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-7-yl]-3-(3-furyl)-N-methyl-prop-2-enamide;hydrochloride > (E)-N-[(4R,4aS,7R,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-dihydroxy-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-7-yl]-3-(3-furanyl)-N-methyl-2-propenamide;hydrochloride > (E)-N-[(4R,4aS,7R,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-dihydroxy-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-7-yl]-3-(furan-3-yl)-N-methylprop-2-enamide;hydrochloride > (E)-N-[(4R,4aS,7R,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-bis(oxidanyl)-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-7-yl]-3-(furan-3-yl)-N-methyl-prop-2-enamide;hydrochloride > (E)-N-[(4R,4aS,7R,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-dihydroxy-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-7-yl]-3-(3-furyl)-N-methyl-acrylamide;hydrochloride > InChI=1S/C28H32N2O5.ClH/c1-29(23(32)7-4-18-9-13-34-16-18)20-8-10-28(33)22-14-19-5-6-21(31)25-24(19)27(28,26(20)35-25)11-12-30(22)15-17-2-3-17;/h4-7,9,13,16-17,20,22,26,31,33H,2-3,8,10-12,14-15H2,1H3;1H/b7-4+;/t20-,22-,26+,27+,28-;/m1./s1 > DJSFYNINGIMKAG-FQJQBBMWSA-N > 512.2078 > C28H33ClN2O5 > 513.02502 > CN(C1CCC2(C3CC4=C5C2(C1OC5=C(C=C4)O)CCN3CC6CC6)O)C(=O)C=CC7=COC=C7.Cl > CN([C@@H]1CC[C@]2([C@H]3CC4=C5[C@]2([C@H]1OC5=C(C=C4)O)CCN3CC6CC6)O)C(=O)/C=C/C7=COC=C7.Cl > 86.4 > 512.2078 > 0 > 36 > 5 > 0 > 1 > 0 > 0 > 2 > 2 > 1 5 255 > 11 37 6 12 38 5 14 20 8 14 21 8 20 26 8 21 27 8 26 28 8 27 28 8 10 3 5 33 34 8 33 35 8 34 36 8 6 35 8 6 36 8 16 8 5 9 13 5 $$$$