53383867 -OEChem-05102410342D 83 87 0 1 0 0 0 0 0999 V2000 5.0567 4.0271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8547 1.0030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3246 4.0271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7265 1.5546 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1666 -3.4972 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8870 -4.5172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0846 0.9925 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5868 3.0580 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1906 2.5271 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0846 3.0618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4088 3.1506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9906 2.5480 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.1906 1.5271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4339 2.9281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9906 1.5063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.0271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1906 3.5271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4088 0.9037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4339 1.1262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8547 3.0513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0730 -0.0075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9332 -0.5174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7227 2.5546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9216 -1.5174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0567 5.0271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4547 2.5613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0499 -2.0073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7818 -2.0273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3188 3.0646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0383 -3.0072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7703 -3.0273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8985 -3.5172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1868 2.5680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3150 4.0646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0509 3.0713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1791 4.5680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1747 1.5264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0470 4.0713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9628 2.5680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1550 -4.4971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0748 1.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9749 1.5264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7471 -5.0271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4782 3.5408 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6800 3.5316 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8936 3.5372 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1398 3.7092 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5282 2.2390 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4339 3.5481 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8294 3.0661 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5153 2.4137 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5153 1.6406 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5468 0.2992 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8294 0.9882 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4339 0.5062 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2514 3.5278 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4544 3.5247 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4637 0.1073 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8543 -0.5876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5425 -0.6321 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1520 0.0627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5844 3.6780 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6767 5.0271 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0567 5.6471 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4367 5.0271 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0580 2.0848 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8551 2.0879 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5166 -1.6911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3223 -1.7236 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3036 -3.3435 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7768 4.3726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1767 5.1880 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6354 1.2206 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5827 4.3834 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4949 2.8862 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5351 -4.4900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1478 -5.1171 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7750 -4.5043 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0748 0.3821 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5142 1.2206 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4310 -5.5605 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2805 -5.3433 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0633 -4.4938 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 1 25 1 0 0 0 0 2 15 2 0 0 0 0 3 17 2 0 0 0 0 4 23 2 0 0 0 0 5 30 1 0 0 0 0 5 40 1 0 0 0 0 6 32 1 0 0 0 0 6 43 1 0 0 0 0 7 13 1 0 0 0 0 7 15 1 0 0 0 0 7 21 1 0 0 0 0 8 23 1 0 0 0 0 8 26 1 0 0 0 0 8 62 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 13 1 0 0 0 0 9 17 1 1 0 0 0 10 12 1 0 0 0 0 10 44 1 0 0 0 0 10 45 1 0 0 0 0 11 14 1 0 0 0 0 11 46 1 0 0 0 0 11 47 1 0 0 0 0 12 15 1 0 0 0 0 12 20 1 1 0 0 0 12 48 1 0 0 0 0 13 18 2 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 16 19 1 0 0 0 0 16 51 1 0 0 0 0 16 52 1 0 0 0 0 18 19 1 0 0 0 0 18 53 1 0 0 0 0 19 54 1 0 0 0 0 19 55 1 0 0 0 0 20 23 1 0 0 0 0 20 56 1 0 0 0 0 20 57 1 0 0 0 0 21 22 1 0 0 0 0 21 58 1 0 0 0 0 21 59 1 0 0 0 0 22 24 1 0 0 0 0 22 60 1 0 0 0 0 22 61 1 0 0 0 0 24 27 2 0 0 0 0 24 28 1 0 0 0 0 25 63 1 0 0 0 0 25 64 1 0 0 0 0 25 65 1 0 0 0 0 26 29 1 0 0 0 0 26 66 1 0 0 0 0 26 67 1 0 0 0 0 27 30 1 0 0 0 0 27 68 1 0 0 0 0 28 31 2 0 0 0 0 28 69 1 0 0 0 0 29 33 1 0 0 0 0 29 34 2 0 0 0 0 30 32 2 0 0 0 0 31 32 1 0 0 0 0 31 70 1 0 0 0 0 33 35 1 0 0 0 0 33 37 2 0 0 0 0 34 36 1 0 0 0 0 34 71 1 0 0 0 0 35 38 1 0 0 0 0 35 39 2 0 0 0 0 36 38 2 0 0 0 0 36 72 1 0 0 0 0 37 41 1 0 0 0 0 37 73 1 0 0 0 0 38 74 1 0 0 0 0 39 42 1 0 0 0 0 39 75 1 0 0 0 0 40 76 1 0 0 0 0 40 77 1 0 0 0 0 40 78 1 0 0 0 0 41 42 2 0 0 0 0 41 79 1 0 0 0 0 42 80 1 0 0 0 0 43 81 1 0 0 0 0 43 82 1 0 0 0 0 43 83 1 0 0 0 0 M END > 53383867 > 1 > 1010 > 6 > 1 > 11 > AAADcfB/OAAAAAAAAAAAAAAAAAAAAAAAAAA8YMEABAAAAADBVAAAHgAQAAAADwzBmAYyDsPABACIAiXSWACCCAAgIgAIiIEOjIgNJjqEsRuEMCpm1hGKqAed3/KPoAADAAAQQABAAAYAACCAAAAAAAAAAA== > methyl (3S,4aS)-1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[2-(1-naphthylmethylamino)-2-oxo-ethyl]-2-oxo-3,4,5,6,7,8-hexahydrocyclohepta[b]pyridine-4a-carboxylate > (3S,4aS)-1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[2-(1-naphthalenylmethylamino)-2-oxoethyl]-2-oxo-3,4,5,6,7,8-hexahydrocyclohepta[b]pyridine-4a-carboxylic acid methyl ester > methyl (3S,4aS)-1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[2-(naphthalen-1-ylmethylamino)-2-oxoethyl]-2-oxo-3,4,5,6,7,8-hexahydrocyclohepta[b]pyridine-4a-carboxylate > methyl (3S,4aS)-1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[2-(naphthalen-1-ylmethylamino)-2-oxoethyl]-2-oxo-3,4,5,6,7,8-hexahydrocyclohepta[b]pyridine-4a-carboxylate > methyl (3S,4aS)-1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[2-(naphthalen-1-ylmethylamino)-2-oxidanylidene-ethyl]-2-oxidanylidene-3,4,5,6,7,8-hexahydrocyclohepta[b]pyridine-4a-carboxylate > (3S,4aS)-1-homoveratryl-2-keto-3-[2-keto-2-(1-naphthylmethylamino)ethyl]-3,4,5,6,7,8-hexahydrocyclohepta[b]pyridine-4a-carboxylic acid methyl ester > InChI=1S/C35H40N2O6/c1-41-29-16-15-24(20-30(29)42-2)17-19-37-31-14-5-4-8-18-35(31,34(40)43-3)22-27(33(37)39)21-32(38)36-23-26-12-9-11-25-10-6-7-13-28(25)26/h6-7,9-16,20,27H,4-5,8,17-19,21-23H2,1-3H3,(H,36,38)/t27-,35+/m1/s1 > KEQNLDNQYJWKKA-URNDWHGUSA-N > 5.3 > 584.28863700 > C35H40N2O6 > 584.7 > COC1=C(C=C(C=C1)CCN2C3=CCCCCC3(CC(C2=O)CC(=O)NCC4=CC=CC5=CC=CC=C54)C(=O)OC)OC > COC1=C(C=C(C=C1)CCN2C3=CCCCC[C@@]3(C[C@H](C2=O)CC(=O)NCC4=CC=CC5=CC=CC=C54)C(=O)OC)OC > 94.2 > 584.28863700 > 0 > 43 > 2 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 12 20 5 24 27 8 24 28 8 27 30 8 28 31 8 29 33 8 29 34 8 30 32 8 31 32 8 33 35 8 33 37 8 34 36 8 35 38 8 35 39 8 36 38 8 37 41 8 39 42 8 41 42 8 9 17 5 $$$$