53301277 -OEChem-05211302092D 63 67 0 1 0 0 0 0 0999 V2000 5.3058 -2.2737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6733 1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2839 -2.4816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6437 -1.4374 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0260 1.1147 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6659 -0.5795 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.3569 0.3716 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7170 2.0658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8601 -1.1617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3628 0.3690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6440 -0.7874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0564 -0.5767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3861 2.8089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7388 2.2737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0041 0.9068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3132 -0.0443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9749 -1.5305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0771 3.7600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4298 3.2247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0989 3.9679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6812 1.1485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0472 -0.8084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9506 -1.7829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3352 -0.2451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6669 0.9401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3478 -0.0449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9678 -2.0073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6648 -1.2332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.6853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6148 -3.2247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9456 -3.9679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9564 -2.3872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0101 1.1476 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3234 1.9369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4446 -1.6218 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2741 -1.6233 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7678 2.3204 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9335 3.1000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1249 2.1874 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7172 1.6541 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6910 3.8463 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0987 4.3796 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0481 3.7133 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8824 2.9337 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3312 4.5427 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5732 4.2964 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8791 1.7361 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8630 -1.4004 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5304 -2.2388 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7447 0.2204 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7420 -0.1767 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1571 -2.5977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4620 2.0988 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5865 2.1473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5380 1.2718 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9965 -3.7133 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1622 -2.9337 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4849 -3.5530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5308 -4.4286 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4064 -4.3828 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3675 -2.5811 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1502 -2.9761 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5453 -2.1934 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 1 30 1 0 0 0 0 2 15 2 0 0 0 0 3 17 2 0 0 0 0 4 28 1 0 0 0 0 4 32 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 5 15 1 0 0 0 0 6 7 1 0 0 0 0 6 9 1 0 0 0 0 6 11 1 0 0 0 0 6 17 1 6 0 0 0 7 10 1 0 0 0 0 7 33 1 6 0 0 0 8 13 1 0 0 0 0 8 14 1 0 0 0 0 8 34 1 0 0 0 0 9 12 1 0 0 0 0 9 35 1 0 0 0 0 9 36 1 0 0 0 0 10 12 2 0 0 0 0 10 21 1 0 0 0 0 11 16 2 0 0 0 0 11 23 1 0 0 0 0 12 22 1 0 0 0 0 13 18 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 14 19 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 15 16 1 0 0 0 0 16 24 1 0 0 0 0 18 20 1 0 0 0 0 18 41 1 0 0 0 0 18 42 1 0 0 0 0 19 20 1 0 0 0 0 19 43 1 0 0 0 0 19 44 1 0 0 0 0 20 45 1 0 0 0 0 20 46 1 0 0 0 0 21 25 2 0 0 0 0 21 47 1 0 0 0 0 22 26 2 0 0 0 0 22 48 1 0 0 0 0 23 27 2 0 0 0 0 23 49 1 0 0 0 0 24 28 2 0 0 0 0 24 50 1 0 0 0 0 25 26 1 0 0 0 0 25 29 1 0 0 0 0 26 51 1 0 0 0 0 27 28 1 0 0 0 0 27 52 1 0 0 0 0 29 53 1 0 0 0 0 29 54 1 0 0 0 0 29 55 1 0 0 0 0 30 31 1 0 0 0 0 30 56 1 0 0 0 0 30 57 1 0 0 0 0 31 58 1 0 0 0 0 31 59 1 0 0 0 0 31 60 1 0 0 0 0 32 61 1 0 0 0 0 32 62 1 0 0 0 0 32 63 1 0 0 0 0 M END > 53301277 > 1 > 718 > 4 > 0 > 5 > AAADceB6OAAAAAAAAAAAAAAAAAAAAYAAAAA8YMEAAAAAAHixQAAAHgAAAAAADizhmAYyDoMABACIAiHSGACCCAAkIAAIiAEODMgMJjqEtRuGMShmxhGIqYe63/Kf4AADAAAQAADAAAYAACAAASAACQAAAA== > ethyl (6aR,11aS)-6-cyclohexyl-3-methoxy-8-methyl-5-oxo-6a,11-dihydroindeno[1,2-c]isoquinoline-11a-carboxylate > (6aR,11aS)-6-cyclohexyl-3-methoxy-8-methyl-5-oxo-6a,11-dihydroindeno[1,2-c]isoquinoline-11a-carboxylic acid ethyl ester > ethyl (6aR,11aS)-6-cyclohexyl-3-methoxy-8-methyl-5-oxo-6a,11-dihydroindeno[1,2-c]isoquinoline-11a-carboxylate > ethyl (6aR,11aS)-6-cyclohexyl-3-methoxy-8-methyl-5-oxidanylidene-6a,11-dihydroindeno[1,2-c]isoquinoline-11a-carboxylate > (6aR,11aS)-6-cyclohexyl-5-keto-3-methoxy-8-methyl-6a,11-dihydroinden[1,2-c]isoquinoline-11a-carboxylic acid ethyl ester > InChI=1S/C27H31NO4/c1-4-32-26(30)27-16-18-11-10-17(2)14-21(18)24(27)28(19-8-6-5-7-9-19)25(29)22-15-20(31-3)12-13-23(22)27/h10-15,19,24H,4-9,16H2,1-3H3/t24-,27+/m1/s1 > NHXPQRRVWUTAQQ-SQHAQQRYSA-N > 4.9 > 433.225308 > C27H31NO4 > 433.53934 > CCOC(=O)C12CC3=C(C1N(C(=O)C4=C2C=CC(=C4)OC)C5CCCCC5)C=C(C=C3)C > CCOC(=O)[C@]12CC3=C([C@H]1N(C(=O)C4=C2C=CC(=C4)OC)C5CCCCC5)C=C(C=C3)C > 55.8 > 433.225308 > 0 > 32 > 2 > 0 > 0 > 0 > 0 > 1 > 1 > 1 5 255 > 10 12 8 10 21 8 11 16 8 11 23 8 12 22 8 16 24 8 21 25 8 22 26 8 23 27 8 24 28 8 25 26 8 27 28 8 6 17 6 7 33 6 $$$$