Mrv1533004251508072D 34 38 0 0 0 0 999 V2000 -0.6773 -3.0941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1401 -3.2059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9575 -3.3177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0283 -4.0233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7355 -4.3351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2519 -2.3885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5727 -2.3628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9627 -1.6357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5281 -0.9345 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9181 -0.2075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4835 0.4937 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7427 -0.1817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3837 0.5611 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2753 0.4483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0391 0.1364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9785 -0.6863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1773 -0.8830 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7873 -1.6100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2219 -2.3112 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1913 -1.5657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1205 -0.8020 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9551 -1.2539 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4877 -1.8839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3123 -1.9097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7469 -1.2084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5715 -1.2342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9615 -1.9612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5766 -2.5110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6098 -1.4509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5269 -2.6624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7023 -2.6367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2677 -3.3379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4431 -3.3122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0531 -2.5852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 4 5 2 0 0 0 0 2 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 12 17 1 0 0 0 0 17 18 1 0 0 0 0 8 18 1 0 0 0 0 18 19 2 0 0 0 0 6 20 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 27 30 1 0 0 0 0 30 31 1 0 0 0 0 24 31 1 0 0 0 0 31 32 2 0 0 0 0 32 33 1 0 0 0 0 33 34 2 0 0 0 0 6 34 1 0 0 0 0 23 34 1 0 0 0 0 M END > NP0283611 > NP-MRD > CC(C)(C=C)C1(CC2NC(=O)C3(O)CCCN3C2=O)C(=O)NC2=C3C=CC(C)(C)OC3=CC=C12 > InChI=1S/C26H31N3O5/c1-6-23(2,3)25(14-17-20(30)29-13-7-11-26(29,33)22(32)27-17)16-8-9-18-15(19(16)28-21(25)31)10-12-24(4,5)34-18/h6,8-10,12,17,33H,1,7,11,13-14H2,2-5H3,(H,27,32)(H,28,31) > GRGBTCMGCXJTOO-UHFFFAOYSA-N > C26H31N3O5 > 465.55 > 465.22637111 > 5 > 65 > 49.255999943788936 > 1 > 3 > 0 > 1 > 3-{[7,7-dimethyl-3-(2-methylbut-3-en-2-yl)-2-oxo-1H,2H,3H,7H-chromeno[5,6-b]pyrrol-3-yl]methyl}-8a-hydroxy-octahydropyrrolo[1,2-a]piperazine-1,4-dione > 2.57 > 2.3469801846666662 > -4.29 > 0 > 5 > 0 > 11.875457530531659 > 10.45968309273311 > -3.498792689099995 > 107.97000000000001 > 128.7801 > 4 > 1 > 2.40e-02 g/l > 3-{[7,7-dimethyl-3-(2-methylbut-3-en-2-yl)-2-oxo-1H-chromeno[5,6-b]pyrrol-3-yl]methyl}-8a-hydroxy-tetrahydro-2H-pyrrolo[1,2-a]piperazine-1,4-dione > 0 > NP0283611 > 1,8a-dihydroxy-3-{[2-hydroxy-7,7-dimethyl-3-(2-methylbut-3-en-2-yl)chromeno[5,6-b]pyrrol-3-yl]methyl}-3h,6h,7h,8h-pyrrolo[1,2-a]pyrazin-4-one $$$$