60189008 -OEChem-03292412002D 60 64 0 1 0 0 0 0 0999 V2000 5.2552 0.7716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5763 -4.2280 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3127 3.8480 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8980 -0.9232 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5763 -2.2280 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8443 -2.2280 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8443 -1.2280 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.8980 -2.5327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7103 -2.7280 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.3144 -1.7280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7103 -0.7280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6089 0.2335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5874 0.0273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5763 -1.2280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7103 -3.7280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2006 1.1464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8669 -0.4369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2062 1.0401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.0616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6942 0.3136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4863 -0.7211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5923 0.8413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4943 0.3205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5884 1.8413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4525 2.3446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7205 2.3380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4486 3.3446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7166 3.3380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5807 3.8413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3089 4.8480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7543 -3.0732 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7543 -0.3827 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3607 -2.8419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1491 -3.0996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2472 -3.0380 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8536 -1.3132 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8536 -2.1427 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7704 -0.3651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1133 -2.5380 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0997 -3.6203 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4982 -4.3106 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7899 1.3390 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0706 1.7526 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5033 -0.9391 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3284 -0.8510 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2052 1.6601 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5895 1.1038 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4100 0.2522 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7488 -0.5052 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1537 0.6173 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0196 -1.0373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0325 0.6284 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5763 -4.8480 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9906 2.0367 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1847 2.0259 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1785 3.6459 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5783 4.4613 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9289 4.8503 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3065 5.4680 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6889 4.8456 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 2 0 0 0 0 2 15 1 0 0 0 0 2 53 1 0 0 0 0 3 27 1 0 0 0 0 3 30 1 0 0 0 0 4 7 1 0 0 0 0 4 10 1 0 0 0 0 4 13 1 0 0 0 0 5 9 1 0 0 0 0 5 14 1 0 0 0 0 5 39 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 6 31 1 6 0 0 0 7 11 1 0 0 0 0 7 32 1 6 0 0 0 8 10 1 0 0 0 0 8 33 1 0 0 0 0 8 34 1 0 0 0 0 9 15 1 1 0 0 0 9 35 1 0 0 0 0 10 36 1 0 0 0 0 10 37 1 0 0 0 0 11 14 2 0 0 0 0 11 20 1 0 0 0 0 12 13 1 0 0 0 0 12 16 1 0 0 0 0 12 17 1 0 0 0 0 12 38 1 0 0 0 0 14 21 1 0 0 0 0 15 40 1 0 0 0 0 15 41 1 0 0 0 0 16 18 1 0 0 0 0 16 42 1 0 0 0 0 16 43 1 0 0 0 0 17 19 1 0 0 0 0 17 44 1 0 0 0 0 17 45 1 0 0 0 0 18 19 1 0 0 0 0 18 46 1 0 0 0 0 18 47 1 0 0 0 0 19 48 1 0 0 0 0 19 49 1 0 0 0 0 20 22 2 0 0 0 0 20 50 1 0 0 0 0 21 23 2 0 0 0 0 21 51 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 23 52 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 25 27 1 0 0 0 0 25 54 1 0 0 0 0 26 28 2 0 0 0 0 26 55 1 0 0 0 0 27 29 2 0 0 0 0 28 29 1 0 0 0 0 28 56 1 0 0 0 0 29 57 1 0 0 0 0 30 58 1 0 0 0 0 30 59 1 0 0 0 0 30 60 1 0 0 0 0 M END > 60189008 > 1 > 607 > 4 > 2 > 4 > AAADceB7MAAAAAAAAAAAAAAAAAAAAeIAAAA8YIAAAAAAAFixQAAAHgAQCAAADSzhmAYyxoPABgCIAiVSUACCCAAhIgAIiIEObIgONjLE8ZuEcChk1hHY6Ae42PIOiAADAAACAAAQAAYAAAQAAAAAAAAAAA== > [(3aR,4R,9bR)-4-(hydroxymethyl)-8-(3-methoxyphenyl)-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-1-yl]-cyclopentyl-methanone > [(3aR,4R,9bR)-4-(hydroxymethyl)-8-(3-methoxyphenyl)-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-1-yl]-cyclopentylmethanone > [(3aR,4R,9bR)-4-(hydroxymethyl)-8-(3-methoxyphenyl)-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-1-yl]-cyclopentylmethanone > [(3aR,4R,9bR)-4-(hydroxymethyl)-8-(3-methoxyphenyl)-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-1-yl]-cyclopentylmethanone > [(3aR,4R,9bR)-4-(hydroxymethyl)-8-(3-methoxyphenyl)-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-1-yl]-cyclopentyl-methanone > [(3aR,4R,9bR)-8-(3-methoxyphenyl)-4-methylol-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-1-yl]-cyclopentyl-methanone > InChI=1S/C25H30N2O3/c1-30-19-8-4-7-17(13-19)18-9-10-22-21(14-18)24-20(23(15-28)26-22)11-12-27(24)25(29)16-5-2-3-6-16/h4,7-10,13-14,16,20,23-24,26,28H,2-3,5-6,11-12,15H2,1H3/t20-,23+,24-/m1/s1 > IDYHYZBOSZEVMK-FGCOXFRFSA-N > 3.9 > 406.22564282 > C25H30N2O3 > 406.5 > COC1=CC=CC(=C1)C2=CC3=C(C=C2)NC(C4C3N(CC4)C(=O)C5CCCC5)CO > COC1=CC=CC(=C1)C2=CC3=C(C=C2)N[C@H]([C@@H]4[C@H]3N(CC4)C(=O)C5CCCC5)CO > 61.8 > 406.22564282 > 0 > 30 > 3 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 11 14 8 11 20 8 14 21 8 20 22 8 21 23 8 22 23 8 24 25 8 24 26 8 25 27 8 26 28 8 27 29 8 28 29 8 6 31 6 7 32 6 9 15 5 $$$$