60188907 -OEChem-05092405152D 63 67 0 1 0 0 0 0 0999 V2000 7.5763 -4.4763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2552 0.5233 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5768 4.5930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8980 -1.1716 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5763 -2.4763 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.8443 -2.4763 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8443 -1.4763 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7103 -2.9763 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.8980 -2.7810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3144 -1.9763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7103 -0.9763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5763 -1.4763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6089 -0.0148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5874 -0.2210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7103 -3.9763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2006 0.8980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8669 -0.6852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6942 0.0652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2062 0.7918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.1867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4423 -2.9763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4863 -0.9694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5923 0.5930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4943 0.0722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5884 1.5930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4525 2.0963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7205 2.0896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4486 3.0963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7166 3.0896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5807 3.5930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4409 5.0963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7543 -3.3215 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7543 -0.6311 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2472 -3.2863 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3607 -3.0902 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1491 -3.3479 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8536 -1.5616 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8536 -2.3910 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7704 -0.6134 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0997 -3.8686 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4982 -4.5589 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7899 1.0906 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0706 1.5043 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5033 -1.1874 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3284 -1.0993 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1537 0.3690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2052 1.4118 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5895 0.8555 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4100 0.0038 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7488 -0.7536 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1323 -3.5132 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9793 -3.2863 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7523 -2.4394 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0196 -1.2856 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0325 0.3801 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5763 -5.0963 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9906 1.7884 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1847 1.7776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9844 3.4084 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1785 3.3976 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7530 4.5606 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9767 5.4084 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1289 5.6320 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 1 56 1 0 0 0 0 2 14 2 0 0 0 0 3 30 1 0 0 0 0 3 31 1 0 0 0 0 4 7 1 0 0 0 0 4 10 1 0 0 0 0 4 14 1 0 0 0 0 5 8 1 0 0 0 0 5 12 1 0 0 0 0 5 21 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 32 1 1 0 0 0 7 11 1 0 0 0 0 7 33 1 1 0 0 0 8 15 1 1 0 0 0 8 34 1 0 0 0 0 9 10 1 0 0 0 0 9 35 1 0 0 0 0 9 36 1 0 0 0 0 10 37 1 0 0 0 0 10 38 1 0 0 0 0 11 12 2 0 0 0 0 11 18 1 0 0 0 0 12 22 1 0 0 0 0 13 14 1 0 0 0 0 13 16 1 0 0 0 0 13 17 1 0 0 0 0 13 39 1 0 0 0 0 15 40 1 0 0 0 0 15 41 1 0 0 0 0 16 19 1 0 0 0 0 16 42 1 0 0 0 0 16 43 1 0 0 0 0 17 20 1 0 0 0 0 17 44 1 0 0 0 0 17 45 1 0 0 0 0 18 23 2 0 0 0 0 18 46 1 0 0 0 0 19 20 1 0 0 0 0 19 47 1 0 0 0 0 19 48 1 0 0 0 0 20 49 1 0 0 0 0 20 50 1 0 0 0 0 21 51 1 0 0 0 0 21 52 1 0 0 0 0 21 53 1 0 0 0 0 22 24 2 0 0 0 0 22 54 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 24 55 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 26 28 1 0 0 0 0 26 57 1 0 0 0 0 27 29 2 0 0 0 0 27 58 1 0 0 0 0 28 30 2 0 0 0 0 28 59 1 0 0 0 0 29 30 1 0 0 0 0 29 60 1 0 0 0 0 31 61 1 0 0 0 0 31 62 1 0 0 0 0 31 63 1 0 0 0 0 M END > 60188907 > 1 > 628 > 4 > 1 > 4 > AAADcfB7MAAAAAAAAAAAAAAAAAAAAeIAAAA8YIAAAAAAAFixQAAAHgAACAAADSzhmAYyxoMABgCIAiVSUACCCAAhIgAIiAEObIgONjLE8ZuEcChkxhHY6Ae42PIOqAACAAACAABQAAQAAAQAAAAAAAAAAA== > [(3aR,4R,9bS)-4-(hydroxymethyl)-8-(4-methoxyphenyl)-5-methyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinolin-1-yl]-cyclopentyl-methanone > [(3aR,4R,9bS)-4-(hydroxymethyl)-8-(4-methoxyphenyl)-5-methyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinolin-1-yl]-cyclopentylmethanone > [(3aR,4R,9bS)-4-(hydroxymethyl)-8-(4-methoxyphenyl)-5-methyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinolin-1-yl]-cyclopentylmethanone > [(3aR,4R,9bS)-4-(hydroxymethyl)-8-(4-methoxyphenyl)-5-methyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinolin-1-yl]-cyclopentylmethanone > [(3aR,4R,9bS)-4-(hydroxymethyl)-8-(4-methoxyphenyl)-5-methyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinolin-1-yl]-cyclopentyl-methanone > [(3aR,4R,9bS)-8-(4-methoxyphenyl)-5-methyl-4-methylol-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinolin-1-yl]-cyclopentyl-methanone > InChI=1S/C26H32N2O3/c1-27-23-12-9-19(17-7-10-20(31-2)11-8-17)15-22(23)25-21(24(27)16-29)13-14-28(25)26(30)18-5-3-4-6-18/h7-12,15,18,21,24-25,29H,3-6,13-14,16H2,1-2H3/t21-,24-,25-/m0/s1 > YQWIJICZKLPPJF-TUSQITKMSA-N > 4.1 > 420.24129289 > C26H32N2O3 > 420.5 > CN1C(C2CCN(C2C3=C1C=CC(=C3)C4=CC=C(C=C4)OC)C(=O)C5CCCC5)CO > CN1[C@H]([C@@H]2CCN([C@@H]2C3=C1C=CC(=C3)C4=CC=C(C=C4)OC)C(=O)C5CCCC5)CO > 53 > 420.24129289 > 0 > 31 > 3 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 11 12 8 11 18 8 12 22 8 18 23 8 22 24 8 23 24 8 25 26 8 25 27 8 26 28 8 27 29 8 28 30 8 29 30 8 6 32 5 7 33 5 8 15 5 $$$$