CDK 1030232201 42 45 0 0 0 0 0 0 0 0999 V2000 4.9529 -3.2438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5049 -2.6307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3120 -2.8023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2500 -1.8461 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8640 -2.1891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5669 -3.5868 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.4430 -1.6745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8020 -1.2330 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.6710 -2.3607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6090 -1.4045 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3738 -3.7584 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0148 -4.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7599 -3.4154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8910 -2.2877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 -0.4125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0174 -0.9781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2230 -1.7476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9259 -3.1453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0215 -0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4295 -1.4907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6288 -4.5430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2698 -4.9846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1459 -3.0723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0840 -2.1161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4695 -0.0769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8420 -0.6038 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0767 -5.1561 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.2419 -5.0951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4134 -4.2881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3317 -5.9408 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4290 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4290 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 4 2 1 0 0 0 0 3 5 2 0 0 0 0 6 3 1 0 0 0 0 4 7 1 1 0 0 0 8 4 1 0 0 0 0 5 9 1 0 0 0 0 10 5 1 0 0 0 0 11 6 1 0 0 0 0 6 12 1 0 0 0 0 6 13 1 1 0 0 0 7 14 1 0 0 0 0 15 8 1 0 0 0 0 8 16 1 1 0 0 0 9 17 2 0 0 0 0 9 18 1 0 0 0 0 10 19 1 0 0 0 0 10 20 1 6 0 0 0 11 21 1 0 0 0 0 12 22 1 0 0 0 0 14 23 2 0 0 0 0 14 24 1 0 0 0 0 15 25 1 1 0 0 0 15 26 1 0 0 0 0 19 27 2 0 0 0 0 28 21 1 0 0 0 0 21 29 1 0 0 0 0 21 30 1 0 0 0 0 25 31 2 0 0 0 0 25 32 1 0 0 0 0 28 33 1 1 0 0 0 31 34 1 0 0 0 0 34 35 2 0 0 0 0 34 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 37 39 1 0 0 0 0 38 40 2 0 0 0 0 38 41 1 0 0 0 0 41 42 1 0 0 0 0 8 10 1 0 0 0 0 11 18 1 1 0 0 0 19 26 1 0 0 0 0 22 28 1 0 0 0 0 M END > CHEBI:215316 > 3beta-hydroxy-12beta-acetoxy-7,11,15,23-tetraoxolanosta-8,20E(22)-dien-26-oic acid methyl ester > 2 > methyl (E)-6-[(3S,5R,10S,12S,13R,14R,17R)-12-acetyloxy-3-hydroxy-4,4,10,13,14-pentamethyl-7,11,15-trioxo-1,2,3,5,6,12,16,17-octahydrocyclopenta[a]phenanthren-17-yl]-2-methyl-4-oxohept-5-enoate > C33H44O9 > 584.706 > 584.29853 > 0 > O=C1C2=C(C(=O)C[C@@H]3[C@@]2(CC[C@@H](C3(C)C)O)C)[C@@]4(C(=O)C[C@@H]([C@]4([C@@H]1OC(=O)C)C)/C(=C/C(=O)CC(C(=O)OC)C)/C)C > InChI=1S/C33H44O9/c1-16(12-19(35)13-17(2)29(40)41-9)20-14-24(38)33(8)25-21(36)15-22-30(4,5)23(37)10-11-31(22,6)26(25)27(39)28(32(20,33)7)42-18(3)34/h12,17,20,22-23,28,37H,10-11,13-15H2,1-9H3/b16-12+/t17?,20-,22+,23+,28-,31+,32+,33+/m1/s1 > HZULDJUBKUUQIE-NASQJITCSA-N $$$$