60188818 -OEChem-05122406372D 62 66 0 1 0 0 0 0 0999 V2000 5.2552 -0.4767 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5763 -5.4763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5691 5.5929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8980 -2.1715 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5763 -3.4763 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8443 -3.4763 0.0000 C 0 0 2 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 4.8980 -3.7810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7103 -3.9763 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.3144 -2.9763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7103 -1.9763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6089 -1.0148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5874 -1.2210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5763 -2.4763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7103 -4.9763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2006 -0.1020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8669 -1.6852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2062 -0.2082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.1867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6942 -0.9348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4863 -1.9694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5923 -0.4070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4943 -0.9278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5884 0.5930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5846 1.5930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5807 2.5930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4448 3.0963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7128 3.0896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4409 4.0963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7089 4.0896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5730 4.5930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4332 6.0963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7543 -4.3215 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7543 -1.6311 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3607 -4.0902 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1491 -4.3479 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2472 -4.2863 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8536 -2.5616 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8536 -3.3910 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7704 -1.6134 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1133 -3.7863 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0997 -4.8686 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4982 -5.5589 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7899 0.0906 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0706 0.5043 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5033 -2.1874 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3284 -2.0993 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2052 0.4118 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5895 -0.1445 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4100 -0.9961 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7488 -1.7536 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1537 -0.6310 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0196 -2.2856 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0325 -0.6199 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5763 -6.0963 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9829 2.7884 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1770 2.7776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9767 4.4084 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1708 4.3975 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7453 5.5605 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9690 6.4083 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1212 6.6320 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 55 1 0 0 0 0 3 31 1 0 0 0 0 3 32 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 41 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 33 1 6 0 0 0 7 11 1 0 0 0 0 7 34 1 6 0 0 0 8 10 1 0 0 0 0 8 35 1 0 0 0 0 8 36 1 0 0 0 0 9 15 1 6 0 0 0 9 37 1 0 0 0 0 10 38 1 0 0 0 0 10 39 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 40 1 0 0 0 0 14 21 1 0 0 0 0 15 42 1 0 0 0 0 15 43 1 0 0 0 0 16 18 1 0 0 0 0 16 44 1 0 0 0 0 16 45 1 0 0 0 0 17 19 1 0 0 0 0 17 46 1 0 0 0 0 17 47 1 0 0 0 0 18 19 1 0 0 0 0 18 48 1 0 0 0 0 18 49 1 0 0 0 0 19 50 1 0 0 0 0 19 51 1 0 0 0 0 20 22 2 0 0 0 0 20 52 1 0 0 0 0 21 23 2 0 0 0 0 21 53 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 23 54 1 0 0 0 0 24 25 3 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 27 29 1 0 0 0 0 27 56 1 0 0 0 0 28 30 2 0 0 0 0 28 57 1 0 0 0 0 29 31 2 0 0 0 0 29 58 1 0 0 0 0 30 31 1 0 0 0 0 30 59 1 0 0 0 0 32 60 1 0 0 0 0 32 61 1 0 0 0 0 32 62 1 0 0 0 0 M END > 60188818 > 1 > 728 > 4 > 2 > 5 > AAADceB7MAAAAAAAAAAAAAAAAAAAAeIAAAA8YIAAAAAAAFixQAAAHgAQCAAADSzhmAYyxoPABgDIEiVSUAiCCAAhIgAIiIEObIgONjLE8ZuEcChk1hHY6Ae42PIOKAACAAACAABQAAQAAAQAAAAAAAAAAA== > [(3aR,4S,9bR)-4-(hydroxymethyl)-8-[2-(4-methoxyphenyl)ethynyl]-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-1-yl]-cyclopentyl-methanone > [(3aR,4S,9bR)-4-(hydroxymethyl)-8-[2-(4-methoxyphenyl)ethynyl]-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-1-yl]-cyclopentylmethanone > [(3aR,4S,9bR)-4-(hydroxymethyl)-8-[2-(4-methoxyphenyl)ethynyl]-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-1-yl]-cyclopentylmethanone > [(3aR,4S,9bR)-4-(hydroxymethyl)-8-[2-(4-methoxyphenyl)ethynyl]-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-1-yl]-cyclopentylmethanone > [(3aR,4S,9bR)-4-(hydroxymethyl)-8-[2-(4-methoxyphenyl)ethynyl]-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-1-yl]-cyclopentyl-methanone > [(3aR,4S,9bR)-8-[2-(4-methoxyphenyl)ethynyl]-4-methylol-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-1-yl]-cyclopentyl-methanone > InChI=1S/C27H30N2O3/c1-32-21-11-8-18(9-12-21)6-7-19-10-13-24-23(16-19)26-22(25(17-30)28-24)14-15-29(26)27(31)20-4-2-3-5-20/h8-13,16,20,22,25-26,28,30H,2-5,14-15,17H2,1H3/t22-,25-,26-/m1/s1 > LSXHZKGIQBOBSG-DNRSQYFGSA-N > 4.3 > 430.22564282 > C27H30N2O3 > 430.5 > COC1=CC=C(C=C1)C#CC2=CC3=C(C=C2)NC(C4C3N(CC4)C(=O)C5CCCC5)CO > COC1=CC=C(C=C1)C#CC2=CC3=C(C=C2)N[C@@H]([C@@H]4[C@H]3N(CC4)C(=O)C5CCCC5)CO > 61.8 > 430.22564282 > 0 > 32 > 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 26 27 8 26 28 8 27 29 8 28 30 8 29 31 8 30 31 8 6 33 6 7 34 6 9 15 6 $$$$