53301266 -OEChem-04182404582D 68 72 0 1 0 0 0 0 0999 V2000 6.6078 -2.2737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9753 1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5859 -2.4816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0521 -1.7633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3020 1.6853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6726 -0.2574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3280 1.1147 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9679 -0.5795 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.6589 0.3716 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1621 -1.1617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0190 2.0658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6648 0.3690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9460 -0.7874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3584 -0.5767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6881 2.8089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0408 2.2737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3061 0.9068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6152 -0.0443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2769 -1.5305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3791 3.7600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7318 3.2247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4009 3.9679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9832 1.1485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3492 -0.8084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2526 -1.7829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6372 -0.2451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9689 0.9401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6498 -0.0449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2698 -2.0073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9668 -1.2332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9168 -3.2247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0766 -1.9833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2476 -3.9679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6139 2.6354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.4825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3121 1.1476 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7466 -1.6218 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5761 -1.6233 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6254 1.9369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0698 2.3204 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2355 3.1000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4269 2.1874 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0192 1.6541 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9930 3.8463 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4007 4.3796 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3501 3.7133 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1844 2.9337 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6332 4.5427 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8752 4.2964 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1811 1.7361 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8324 -2.2388 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0467 0.2204 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4591 -2.5977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5737 -1.3598 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2985 -3.7133 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4642 -2.9337 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9401 -1.3785 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4718 -2.1198 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2130 -2.5881 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7869 -3.5530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8328 -4.4286 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7084 -4.3828 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2029 2.4421 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8072 3.2245 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0248 2.8288 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4588 0.8996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5830 0.9413 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5412 0.0655 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 1 31 1 0 0 0 0 2 17 2 0 0 0 0 3 19 2 0 0 0 0 4 24 1 0 0 0 0 4 32 1 0 0 0 0 5 27 1 0 0 0 0 5 34 1 0 0 0 0 6 28 1 0 0 0 0 6 35 1 0 0 0 0 7 9 1 0 0 0 0 7 11 1 0 0 0 0 7 17 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 13 1 0 0 0 0 8 19 1 6 0 0 0 9 12 1 0 0 0 0 9 36 1 6 0 0 0 10 14 1 0 0 0 0 10 37 1 0 0 0 0 10 38 1 0 0 0 0 11 15 1 0 0 0 0 11 16 1 0 0 0 0 11 39 1 0 0 0 0 12 14 1 0 0 0 0 12 23 2 0 0 0 0 13 18 1 0 0 0 0 13 25 2 0 0 0 0 14 24 2 0 0 0 0 15 20 1 0 0 0 0 15 40 1 0 0 0 0 15 41 1 0 0 0 0 16 21 1 0 0 0 0 16 42 1 0 0 0 0 16 43 1 0 0 0 0 17 18 1 0 0 0 0 18 26 2 0 0 0 0 20 22 1 0 0 0 0 20 44 1 0 0 0 0 20 45 1 0 0 0 0 21 22 1 0 0 0 0 21 46 1 0 0 0 0 21 47 1 0 0 0 0 22 48 1 0 0 0 0 22 49 1 0 0 0 0 23 27 1 0 0 0 0 23 50 1 0 0 0 0 24 28 1 0 0 0 0 25 29 1 0 0 0 0 25 51 1 0 0 0 0 26 30 1 0 0 0 0 26 52 1 0 0 0 0 27 28 2 0 0 0 0 29 30 2 0 0 0 0 29 53 1 0 0 0 0 30 54 1 0 0 0 0 31 33 1 0 0 0 0 31 55 1 0 0 0 0 31 56 1 0 0 0 0 32 57 1 0 0 0 0 32 58 1 0 0 0 0 32 59 1 0 0 0 0 33 60 1 0 0 0 0 33 61 1 0 0 0 0 33 62 1 0 0 0 0 34 63 1 0 0 0 0 34 64 1 0 0 0 0 34 65 1 0 0 0 0 35 66 1 0 0 0 0 35 67 1 0 0 0 0 35 68 1 0 0 0 0 M END > 53301266 > 1 > 783 > 6 > 0 > 7 > AAADcfB6OAAAAAAAAAAAAAAAAAAAAYAAAAA8YMEAAAAAAHixQAAAHgAAAAAADizhmAYyDoMABACIAiHSGACCCAAkIAAIiAEOjMgNJzqEtRuGMSpnxhWKqYe4///foAABCAAYQABAAAIQADCAASAACQAAAA== > ethyl (6aR,11aS)-6-cyclohexyl-8,9,10-trimethoxy-5-oxo-6a,11-dihydroindeno[1,2-c]isoquinoline-11a-carboxylate > (6aR,11aS)-6-cyclohexyl-8,9,10-trimethoxy-5-oxo-6a,11-dihydroindeno[1,2-c]isoquinoline-11a-carboxylic acid ethyl ester > ethyl (6aR,11aS)-6-cyclohexyl-8,9,10-trimethoxy-5-oxo-6a,11-dihydroindeno[1,2-c]isoquinoline-11a-carboxylate > ethyl (6aR,11aS)-6-cyclohexyl-8,9,10-trimethoxy-5-oxo-6a,11-dihydroindeno[1,2-c]isoquinoline-11a-carboxylate > ethyl (6aR,11aS)-6-cyclohexyl-8,9,10-trimethoxy-5-oxidanylidene-6a,11-dihydroindeno[1,2-c]isoquinoline-11a-carboxylate > (6aR,11aS)-6-cyclohexyl-5-keto-8,9,10-trimethoxy-6a,11-dihydroinden[1,2-c]isoquinoline-11a-carboxylic acid ethyl ester > InChI=1S/C28H33NO6/c1-5-35-27(31)28-16-20-19(15-22(32-2)24(34-4)23(20)33-3)25(28)29(17-11-7-6-8-12-17)26(30)18-13-9-10-14-21(18)28/h9-10,13-15,17,25H,5-8,11-12,16H2,1-4H3/t25-,28+/m1/s1 > MVMHJLQYKDYXKF-NAKRPHOHSA-N > 4.5 > 479.23078777 > C28H33NO6 > 479.6 > CCOC(=O)C12CC3=C(C(=C(C=C3C1N(C(=O)C4=CC=CC=C24)C5CCCCC5)OC)OC)OC > CCOC(=O)[C@]12CC3=C(C(=C(C=C3[C@H]1N(C(=O)C4=CC=CC=C24)C5CCCCC5)OC)OC)OC > 74.3 > 479.23078777 > 0 > 35 > 2 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 12 14 8 12 23 8 13 18 8 13 25 8 14 24 8 18 26 8 23 27 8 24 28 8 25 29 8 26 30 8 27 28 8 29 30 8 8 19 6 9 36 6 $$$$