5361881 -OEChem-05112411342D 67 70 0 1 0 0 0 0 0999 V2000 12.4762 2.4386 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8496 0.9039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0679 -2.1548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1177 0.9240 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5980 -2.1307 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.4641 -0.6307 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5980 -0.1307 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.3741 -0.1238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4641 -1.6307 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.5820 0.9108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4800 1.4386 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.3821 0.9178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7320 -0.6307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7320 -1.6307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3301 -2.1307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8381 -0.0960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8381 -2.1653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9320 -0.6098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9320 -1.6515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2000 -1.6582 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9894 1.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3359 -2.1615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1961 -0.6582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4679 -1.6648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0010 2.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6038 -2.1682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7359 -1.6715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.6715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8718 -2.1748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8641 -0.1749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0038 -1.6782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.6782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1969 -1.0613 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3309 0.3000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5786 -0.7091 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9857 -0.0224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4641 -2.2507 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3640 1.4912 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9728 0.7953 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0164 1.7496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9921 0.8070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5956 1.4998 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5980 -2.7507 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0201 -2.6676 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8670 -2.4407 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6401 -1.5937 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8452 -2.7853 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0119 2.7507 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3963 -0.2978 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2024 -2.2782 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9392 -2.6380 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7362 -2.6349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8161 -0.6558 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1937 -0.0382 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5761 -0.6606 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8646 -1.1884 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0676 -1.1914 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6210 2.4067 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0082 3.0338 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3810 2.4210 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2071 -2.6446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0042 -2.6416 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2678 -0.3594 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8742 -2.7948 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8617 0.4451 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4681 -1.9902 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4619 -0.3703 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11 1 1 6 0 0 0 1 48 1 0 0 0 0 2 16 1 0 0 0 0 2 21 1 0 0 0 0 3 19 1 0 0 0 0 20 3 1 1 0 0 0 4 21 2 0 0 0 0 5 9 1 0 0 0 0 5 14 1 0 0 0 0 5 43 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 10 1 0 0 0 0 7 13 1 0 0 0 0 7 34 1 1 0 0 0 8 12 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 11 1 0 0 0 0 10 38 1 0 0 0 0 10 39 1 0 0 0 0 11 12 1 0 0 0 0 11 40 1 0 0 0 0 12 41 1 0 0 0 0 12 42 1 0 0 0 0 13 14 2 0 0 0 0 13 16 1 0 0 0 0 14 17 1 0 0 0 0 15 44 1 0 0 0 0 15 45 1 0 0 0 0 15 46 1 0 0 0 0 16 18 2 0 0 0 0 17 19 2 0 0 0 0 17 47 1 0 0 0 0 18 19 1 0 0 0 0 18 49 1 0 0 0 0 20 22 1 0 0 0 0 20 23 1 0 0 0 0 20 50 1 0 0 0 0 21 25 1 0 0 0 0 22 24 1 0 0 0 0 22 51 1 0 0 0 0 22 52 1 0 0 0 0 23 53 1 0 0 0 0 23 54 1 0 0 0 0 23 55 1 0 0 0 0 24 26 1 0 0 0 0 24 56 1 0 0 0 0 24 57 1 0 0 0 0 25 58 1 0 0 0 0 25 59 1 0 0 0 0 25 60 1 0 0 0 0 26 27 1 0 0 0 0 26 61 1 0 0 0 0 26 62 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 28 30 1 0 0 0 0 28 63 1 0 0 0 0 29 31 2 0 0 0 0 29 64 1 0 0 0 0 30 32 2 0 0 0 0 30 65 1 0 0 0 0 31 32 1 0 0 0 0 31 66 1 0 0 0 0 32 67 1 0 0 0 0 M END > 5361881 > 1 > 607 > 5 > 2 > 8 > AAADcfB6OAAAAAAAAAAAAAAAAAAAAAAAAAA8YMEAAAAAAACxQAAAHgAQCAAADTzhmAYyzoLABgCIAiTSSACCCAAhIgAIiIAObIgMNyLEsZuGeijn0B3I6AeQ8P8OoAAACgAKAABAAAIUADQAAAAAAAAAAA== > [(6S,6aR,9R,10aR)-9-hydroxy-6-methyl-3-[(1R)-1-methyl-4-phenyl-butoxy]-5,6,6a,7,8,9,10,10a-octahydrophenanthridin-1-yl] acetate > acetic acid [(6S,6aR,9R,10aR)-9-hydroxy-6-methyl-3-[(2R)-5-phenylpentan-2-yl]oxy-5,6,6a,7,8,9,10,10a-octahydrophenanthridin-1-yl] ester > [(6S,6aR,9R,10aR)-9-hydroxy-6-methyl-3-[(2R)-5-phenylpentan-2-yl]oxy-5,6,6a,7,8,9,10,10a-octahydrophenanthridin-1-yl] acetate > [(6S,6aR,9R,10aR)-9-hydroxy-6-methyl-3-[(2R)-5-phenylpentan-2-yl]oxy-5,6,6a,7,8,9,10,10a-octahydrophenanthridin-1-yl] acetate > [(6S,6aR,9R,10aR)-6-methyl-9-oxidanyl-3-[(2R)-5-phenylpentan-2-yl]oxy-5,6,6a,7,8,9,10,10a-octahydrophenanthridin-1-yl] ethanoate > acetic acid [(6S,6aR,9R,10aR)-9-hydroxy-6-methyl-3-[(1R)-1-methyl-4-phenyl-butoxy]-5,6,6a,7,8,9,10,10a-octahydrophenanthridin-1-yl] ester > InChI=1S/C27H35NO4/c1-17(8-7-11-20-9-5-4-6-10-20)31-22-15-25-27(26(16-22)32-19(3)29)24-14-21(30)12-13-23(24)18(2)28-25/h4-6,9-10,15-18,21,23-24,28,30H,7-8,11-14H2,1-3H3/t17-,18+,21-,23+,24-/m1/s1 > FFVXQGMUHIJQAO-BFKQJKLPSA-N > 5.5 > 437.25660860 > C27H35NO4 > 437.6 > CC1C2CCC(CC2C3=C(N1)C=C(C=C3OC(=O)C)OC(C)CCCC4=CC=CC=C4)O > C[C@H]1[C@@H]2CC[C@H](C[C@H]2C3=C(N1)C=C(C=C3OC(=O)C)O[C@H](C)CCCC4=CC=CC=C4)O > 67.8 > 437.25660860 > 0 > 32 > 5 > 0 > 0 > 0 > 0 > 1 > 1 > 1 5 255 > 11 1 6 13 14 8 13 16 8 14 17 8 16 18 8 17 19 8 18 19 8 27 28 8 27 29 8 28 30 8 29 31 8 20 3 5 30 32 8 31 32 8 6 33 6 7 34 5 9 15 6 $$$$