11049533 -OEChem-03292410332D 63 68 0 1 0 0 0 0 0999 V2000 2.3259 0.4815 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2506 -1.2884 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0945 -1.9734 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0945 2.8309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2552 -0.5224 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.7842 -0.0468 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.6078 -0.5224 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.9605 -0.5224 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4315 -0.0468 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.3337 0.6506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7842 0.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6078 -1.4734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4315 0.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6864 0.6506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6078 1.3798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7842 -1.9490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9605 -1.4734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9605 1.3798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.8005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9363 -1.2545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6078 2.3309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9605 2.3309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9086 -2.2281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7842 2.8064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9110 -1.0306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5514 -2.9942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5921 -1.7628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5667 -1.5389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2987 -2.7187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2479 -2.2710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9798 -3.4509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9545 -3.2270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7229 -0.8453 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4705 1.2554 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7740 0.9174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8199 -2.0560 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2184 -1.3658 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0421 0.7966 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6436 1.4868 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2785 0.8344 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5934 1.2636 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3857 -2.4239 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1827 -2.4239 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8275 -0.2050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4045 -0.9730 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1725 -1.3961 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4160 -1.5916 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1779 -1.8255 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1448 2.6409 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3717 -1.9181 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5101 -2.7030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7842 3.4264 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4313 -0.6936 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6693 -0.4597 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0765 -3.3927 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9499 -3.4691 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0264 -2.5956 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0945 3.4509 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7487 -0.9462 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6944 -2.8575 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8522 -2.1323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7979 -4.0436 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3768 -3.6809 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 18 1 0 0 0 0 7 2 1 1 0 0 0 2 23 1 0 0 0 0 3 17 2 0 0 0 0 4 22 1 0 0 0 0 4 58 1 0 0 0 0 5 9 1 0 0 0 0 5 14 1 0 0 0 0 5 20 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 10 1 1 0 0 0 6 11 1 0 0 0 0 7 9 1 0 0 0 0 7 12 1 0 0 0 0 8 17 1 0 0 0 0 8 19 1 1 0 0 0 9 13 1 0 0 0 0 9 33 1 6 0 0 0 10 14 1 0 0 0 0 10 34 1 0 0 0 0 10 35 1 0 0 0 0 11 15 2 0 0 0 0 11 18 1 0 0 0 0 12 16 1 0 0 0 0 12 36 1 0 0 0 0 12 37 1 0 0 0 0 13 15 1 0 0 0 0 13 38 1 0 0 0 0 13 39 1 0 0 0 0 14 40 1 0 0 0 0 14 41 1 0 0 0 0 15 21 1 0 0 0 0 16 17 1 0 0 0 0 16 42 1 0 0 0 0 16 43 1 0 0 0 0 18 22 2 0 0 0 0 19 44 1 0 0 0 0 19 45 1 0 0 0 0 19 46 1 0 0 0 0 20 25 1 0 0 0 0 20 47 1 0 0 0 0 20 48 1 0 0 0 0 21 24 2 0 0 0 0 21 49 1 0 0 0 0 22 24 1 0 0 0 0 23 26 1 0 0 0 0 23 50 1 0 0 0 0 23 51 1 0 0 0 0 24 52 1 0 0 0 0 25 27 1 0 0 0 0 25 53 1 0 0 0 0 25 54 1 0 0 0 0 26 55 1 0 0 0 0 26 56 1 0 0 0 0 26 57 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 59 1 0 0 0 0 29 31 2 0 0 0 0 29 60 1 0 0 0 0 30 32 2 0 0 0 0 30 61 1 0 0 0 0 31 32 1 0 0 0 0 31 62 1 0 0 0 0 32 63 1 0 0 0 0 M END > 11049533 > 1 > 752 > 5 > 1 > 5 > AAADceB6OAAAAAAAAAAAAAAAAAAAASAAAAA8YMGCAAAWAEjxQAAAHgAACAAADmzhmAYyBoMABgCIAqBSAAICCAAgIAAIiAFOiIgPJjKGsR+HeCOlwBGbuAf6/f/foAABAAAYQADQAAaQADSgAAAAAAAAAA== > (4R,4aS,7aR,12bR)-4a-ethoxy-9-hydroxy-7a-methyl-3-(2-phenylethyl)-1,2,4,5,6,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one > (4R,4aS,7aR,12bR)-4a-ethoxy-9-hydroxy-7a-methyl-3-(2-phenylethyl)-1,2,4,5,6,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one > (4R,4aS,7aR,12bR)-4a-ethoxy-9-hydroxy-7a-methyl-3-(2-phenylethyl)-1,2,4,5,6,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one > (4R,4aS,7aR,12bR)-4a-ethoxy-9-hydroxy-7a-methyl-3-(2-phenylethyl)-1,2,4,5,6,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one > (4R,4aS,7aR,12bR)-4a-ethoxy-7a-methyl-9-oxidanyl-3-(2-phenylethyl)-1,2,4,5,6,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one > (4R,4aS,7aR,12bR)-4a-ethoxy-9-hydroxy-7a-methyl-3-phenethyl-1,2,4,5,6,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one > InChI=1S/C27H31NO4/c1-3-31-27-13-11-22(30)25(2)26(27)14-16-28(15-12-18-7-5-4-6-8-18)21(27)17-19-9-10-20(29)24(32-25)23(19)26/h4-10,21,29H,3,11-17H2,1-2H3/t21-,25+,26+,27-/m1/s1 > YNNFSTLAUJEYHI-NVSKSXHLSA-N > 3.8 > 433.22530847 > C27H31NO4 > 433.5 > CCOC12CCC(=O)C3(C14CCN(C2CC5=C4C(=C(C=C5)O)O3)CCC6=CC=CC=C6)C > CCO[C@@]12CCC(=O)[C@]3([C@@]14CCN([C@@H]2CC5=C4C(=C(C=C5)O)O3)CCC6=CC=CC=C6)C > 59 > 433.22530847 > 0 > 32 > 4 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 11 15 8 11 18 8 15 21 8 18 22 8 7 2 5 21 24 8 22 24 8 27 28 8 27 29 8 28 30 8 29 31 8 30 32 8 31 32 8 6 10 5 8 19 5 9 33 6 $$$$