null CDK 0224162149 null 34 38 0 0 0 0 0 0 0 0999 V2000 1.7946 -2.7057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3347 -2.0821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1449 -2.2380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0647 -1.3025 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6048 -0.6789 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4149 -0.8348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9550 -0.2111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6850 0.5684 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2251 1.1921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0352 1.0361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3052 0.2566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1154 0.1007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7651 -0.3671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3696 -0.9286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6376 -1.1821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8748 0.7243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3347 0.1007 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.5246 0.2566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9845 -0.3671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1744 -0.2111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3657 -0.8348 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0957 0.5684 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4444 1.1921 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.2546 1.0361 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.7946 1.6598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6048 1.5039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9845 1.8157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1744 1.9716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6150 2.2113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6310 3.0362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1486 3.3062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6463 2.6483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7946 -0.5230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4149 1.3480 0.0000 C 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 2 4 1 0 0 0 0 5 4 1 1 0 0 0 5 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 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 7 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 8 16 1 0 0 0 0 16 17 1 0 0 0 0 17 5 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 19 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 1 0 0 0 0 24 18 1 1 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 16 1 0 0 0 0 24 27 1 1 0 0 0 23 28 1 1 0 0 0 28 29 2 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 32 28 1 0 0 0 0 17 33 1 6 0 0 0 8 34 1 6 0 0 0 M END > CHEBI:91485 > acetic acid [(1R,4bR,5R,10aR,12aR)-1-(3-furanyl)-4b,7,7,10a,12a-pentamethyl-3,8-dioxo-5,6,6a,9,10,10b,11,12-octahydro-1H-naphtho[2,1-f][2]benzopyran-5-yl] ester > 2 > C28H36O6 > 468.583 > 468.25119 > 0 > CC(=O)O[C@@H]1CC2[C@](CCC(=O)C2(C)C)(C3[C@@]1(C4=CC(=O)O[C@H]([C@@]4(CC3)C)C5=COC=C5)C)C > InChI=1S/C28H36O6/c1-16(29)33-22-13-19-25(2,3)21(30)8-11-26(19,4)18-7-10-27(5)20(28(18,22)6)14-23(31)34-24(27)17-9-12-32-15-17/h9,12,14-15,18-19,22,24H,7-8,10-11,13H2,1-6H3/t18?,19?,22-,24+,26-,27-,28-/m1/s1 > QDBAUJQKYJXHPB-OMRKLITNSA-N > LSM-1253 $$$$