Mrv1652306242119493D 65 68 0 0 0 0 999 V2000 -0.2469 4.3364 0.4728 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1090 3.0590 -0.2717 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1891 2.4632 -0.7685 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9959 1.2080 -1.4918 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.9403 0.7075 -2.4432 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1740 0.4326 -2.1962 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7613 0.6003 -0.8935 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.4690 -0.7458 -0.5978 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.6650 -0.5976 0.2622 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4252 -1.6672 0.0127 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0178 -2.6479 -0.5736 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9197 -1.3395 1.3360 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.8336 -1.9090 2.4458 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5725 -1.7702 1.6900 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4340 -1.1731 1.4173 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2333 0.0409 0.6977 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1276 1.1106 1.4408 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1048 0.3339 -0.7372 C 0 0 1 0 0 0 0 0 0 0 0 0 0.3501 -0.8796 -1.5339 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1942 -1.4611 -2.4751 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6050 -1.1722 -0.8856 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1341 0.0462 -0.2903 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6076 0.1479 -0.6670 C 0 0 1 0 0 0 0 0 0 0 0 0 4.3929 -1.0111 -0.1774 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9624 -1.0129 1.1001 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6982 -2.0820 1.5579 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9027 -3.1961 0.7717 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3450 -3.2022 -0.4885 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6081 -2.1308 -0.9465 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2967 1.0684 -0.9076 C 0 0 2 0 0 0 0 0 0 0 0 0 1.2716 2.4456 -0.4533 C 0 0 2 0 0 0 0 0 0 0 0 0 2.1730 2.7858 0.6910 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6088 5.0051 0.2109 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3222 4.1763 1.5760 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1636 4.8677 0.1755 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1400 2.9131 -0.6393 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2220 1.6779 -2.3091 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6200 0.5100 -3.5215 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8631 0.0443 -2.9892 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6274 1.3227 -0.9894 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1669 0.9330 -0.0762 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7673 -1.2053 -1.5582 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5933 0.1983 1.0237 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9091 -1.5933 0.6857 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5360 -0.3831 -0.4289 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0581 -0.2198 1.4946 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2362 -1.9935 3.4005 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6630 -1.2365 2.6893 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1319 -2.9107 2.1455 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4841 -2.7484 2.2566 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4886 -1.6909 1.8803 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0681 -2.1215 -0.8459 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1052 -0.0060 0.8168 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7349 0.2143 -1.7685 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0636 1.0727 -0.2586 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7949 -0.1350 1.7054 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1391 -2.0885 2.5414 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4886 -4.0439 1.1404 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4993 -4.0710 -1.1131 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1671 -2.1319 -1.9530 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4412 1.0108 -2.0124 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6494 3.1092 -1.3018 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1290 3.2029 0.3108 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7140 3.6041 1.2913 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4784 1.9288 1.3225 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 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 8 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 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 18 16 1 1 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 22 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 31 2 1 0 0 0 0 18 4 1 0 0 0 0 29 24 1 0 0 0 0 30 18 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 3 36 1 0 0 0 0 4 37 1 6 0 0 0 5 38 1 0 0 0 0 6 39 1 0 0 0 0 7 40 1 0 0 0 0 7 41 1 0 0 0 0 8 42 1 6 0 0 0 9 43 1 0 0 0 0 9 44 1 0 0 0 0 9 45 1 0 0 0 0 12 46 1 6 0 0 0 13 47 1 0 0 0 0 13 48 1 0 0 0 0 13 49 1 0 0 0 0 14 50 1 0 0 0 0 15 51 1 0 0 0 0 21 52 1 0 0 0 0 22 53 1 1 0 0 0 23 54 1 0 0 0 0 23 55 1 0 0 0 0 25 56 1 0 0 0 0 26 57 1 0 0 0 0 27 58 1 0 0 0 0 28 59 1 0 0 0 0 29 60 1 0 0 0 0 30 61 1 6 0 0 0 31 62 1 6 0 0 0 32 63 1 0 0 0 0 32 64 1 0 0 0 0 32 65 1 0 0 0 0 M END > NP0013770 > NP-MRD > [H]N1C(=O)[C@]23C(=O)\C([H])=C([H])/[C@@]([H])(C(=O)[C@@]([H])(C([H])([H])[H])C([H])([H])\C([H])=C([H])/[C@@]2([H])C([H])=C(C([H])([H])[H])[C@@]([H])(C([H])([H])[H])[C@@]3([H])[C@]1([H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H])C([H])([H])[H] > InChI=1S/C28H33NO3/c1-17-9-8-12-22-15-19(3)20(4)25-23(16-21-10-6-5-7-11-21)29-27(32)28(22,25)24(30)14-13-18(2)26(17)31/h5-8,10-15,17-18,20,22-23,25H,9,16H2,1-4H3,(H,29,32)/b12-8-,14-13-/t17-,18-,20+,22-,23-,25-,28-/m0/s1 > MZRDRLOYHFZNCS-FSHFVSEHSA-N > C28H33NO3 > 431.576 > 431.246043927 > 3 > 65 > 48.697626066206745 > 1 > 1 > 0 > 1 > (3S,4S,10S,12S,15aR,15bR)-3-benzyl-4,5,10,12-tetramethyl-1H,2H,3H,4H,6aH,9H,10H,11H,12H,15H,15bH-cycloundeca[e]isoindole-1,11,15-trione > 4.30 > 5.361782791000001 > -5.49 > 0 > 4 > 0 > 15.21876982961659 > 14.267518112753613 > -2.6208724283342106 > 63.24 > 129.8367 > 2 > 0 > 1.39e-03 g/l > (3S,4S,10S,12S,15aR,15bR)-3-benzyl-4,5,10,12-tetramethyl-2H,3H,4H,6aH,9H,10H,12H,15bH-cycloundeca[e]isoindole-1,11,15-trione > 0 > NP0013770 > Ketocytochalasin $$$$