53301242 -OEChem-03282404542D 47 50 0 1 0 0 0 0 0999 V2000 6.6078 -1.3226 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5859 -1.5305 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9753 2.6010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6726 0.6936 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3280 2.0658 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9679 0.3716 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.6589 1.3226 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1621 -0.2106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6648 1.3200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3584 0.3744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9460 0.1637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2769 -0.5795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6152 0.9068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3061 1.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9832 2.0995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3492 0.1426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2526 -0.8318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0190 3.0168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6372 0.7060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6498 0.9061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9689 1.8912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2698 -1.0562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9668 -0.2822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9168 -2.2737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2476 -3.0168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.4336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3121 2.0987 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7466 -0.6708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5761 -0.6722 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1811 2.6871 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1650 -0.4494 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8324 -1.2878 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6086 3.2084 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8274 3.6065 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4293 2.8252 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0467 1.1715 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5554 2.3532 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4591 -1.6466 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5737 -0.4087 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2985 -2.7622 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4642 -1.9826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7869 -2.6020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8328 -3.4776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7084 -3.4317 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4588 1.8506 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5830 1.8924 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5412 1.0166 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 24 1 0 0 0 0 2 12 2 0 0 0 0 3 14 2 0 0 0 0 4 20 1 0 0 0 0 4 26 1 0 0 0 0 5 7 1 0 0 0 0 5 14 1 0 0 0 0 5 18 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 11 1 0 0 0 0 6 12 1 6 0 0 0 7 9 1 0 0 0 0 7 27 1 6 0 0 0 8 10 1 0 0 0 0 8 28 1 0 0 0 0 8 29 1 0 0 0 0 9 10 2 0 0 0 0 9 15 1 0 0 0 0 10 16 1 0 0 0 0 11 13 1 0 0 0 0 11 17 2 0 0 0 0 13 14 1 0 0 0 0 13 19 2 0 0 0 0 15 21 2 0 0 0 0 15 30 1 0 0 0 0 16 20 2 0 0 0 0 16 31 1 0 0 0 0 17 22 1 0 0 0 0 17 32 1 0 0 0 0 18 33 1 0 0 0 0 18 34 1 0 0 0 0 18 35 1 0 0 0 0 19 23 1 0 0 0 0 19 36 1 0 0 0 0 20 21 1 0 0 0 0 21 37 1 0 0 0 0 22 23 2 0 0 0 0 22 38 1 0 0 0 0 23 39 1 0 0 0 0 24 25 1 0 0 0 0 24 40 1 0 0 0 0 24 41 1 0 0 0 0 25 42 1 0 0 0 0 25 43 1 0 0 0 0 25 44 1 0 0 0 0 26 45 1 0 0 0 0 26 46 1 0 0 0 0 26 47 1 0 0 0 0 M END > 53301242 > 1 > 578 > 4 > 0 > 4 > AAADceB6OAAAAAAAAAAAAAAAAAAAAYAAAAA8YIAAAAAAAHixQAAAHgAAAAAADizhmAYyDoMABACIAiHSGACCCAAkIAAIiAEODMgMJjqEtRuGMShmxhGIqYeY3/OfoAABAAAQAABAAAIAACAAASAACQAAAA== > ethyl (6aR,11aS)-9-methoxy-6-methyl-5-oxo-6a,11-dihydroindeno[1,2-c]isoquinoline-11a-carboxylate > (6aR,11aS)-9-methoxy-6-methyl-5-oxo-6a,11-dihydroindeno[1,2-c]isoquinoline-11a-carboxylic acid ethyl ester > ethyl (6aR,11aS)-9-methoxy-6-methyl-5-oxo-6a,11-dihydroindeno[1,2-c]isoquinoline-11a-carboxylate > ethyl (6aR,11aS)-9-methoxy-6-methyl-5-oxo-6a,11-dihydroindeno[1,2-c]isoquinoline-11a-carboxylate > ethyl (6aR,11aS)-9-methoxy-6-methyl-5-oxidanylidene-6a,11-dihydroindeno[1,2-c]isoquinoline-11a-carboxylate > (6aR,11aS)-5-keto-9-methoxy-6-methyl-6a,11-dihydroinden[1,2-c]isoquinoline-11a-carboxylic acid ethyl ester > InChI=1S/C21H21NO4/c1-4-26-20(24)21-12-13-11-14(25-3)9-10-15(13)18(21)22(2)19(23)16-7-5-6-8-17(16)21/h5-11,18H,4,12H2,1-3H3/t18-,21+/m1/s1 > AHHVMYHFWQZNMY-NQIIRXRSSA-N > 2.7 > 351.14705815 > C21H21NO4 > 351.4 > CCOC(=O)C12CC3=C(C1N(C(=O)C4=CC=CC=C24)C)C=CC(=C3)OC > CCOC(=O)[C@]12CC3=C([C@H]1N(C(=O)C4=CC=CC=C24)C)C=CC(=C3)OC > 55.8 > 351.14705815 > 0 > 26 > 2 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 16 8 11 13 8 11 17 8 13 19 8 15 21 8 16 20 8 17 22 8 19 23 8 20 21 8 22 23 8 6 12 6 7 27 6 9 10 8 9 15 8 $$$$