5281310 CDK 1019211303 47 52 0 0 0 0 0 0 0 0999 V2000 3.0317 -1.2669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7298 -2.3607 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2897 1.3545 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3693 1.3658 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4152 0.0911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7007 -1.1464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5896 2.6003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6030 -3.8129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0790 2.6061 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5572 0.0911 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.8428 -0.3214 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2717 -1.1464 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2717 -0.3214 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.0920 0.0967 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.8428 -1.1464 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5572 -1.5590 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5705 0.9503 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.0854 0.9560 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8797 -1.6968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6079 -0.5651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8296 1.3857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5455 -2.4458 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2717 0.5036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9862 0.0911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9862 -0.7339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2670 0.0872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6903 -1.7848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1523 -2.9903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8584 -2.5826 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7007 -0.3214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2439 -1.1732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6118 -2.9188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2993 2.1795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3662 2.1908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3267 -2.5069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7826 -3.7259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0184 2.5837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 2.6005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9393 -3.0595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1296 -0.3214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7281 2.1630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0280 3.4086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7472 3.8129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8428 0.3798 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7116 -1.8353 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9904 -1.9719 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2611 -3.0868 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 1 20 1 0 0 0 0 2 16 1 0 0 0 0 2 22 1 0 0 0 0 17 3 1 6 0 0 0 3 33 1 0 0 0 0 18 4 1 6 0 0 0 4 34 1 0 0 0 0 5 30 1 0 0 0 0 5 40 1 0 0 0 0 6 30 2 0 0 0 0 7 33 2 0 0 0 0 8 36 1 0 0 0 0 8 39 1 0 0 0 0 9 34 2 0 0 0 0 10 11 1 0 0 0 0 10 13 1 0 0 0 0 10 17 1 0 0 0 0 10 23 1 1 0 0 0 11 14 1 0 0 0 0 11 15 1 0 0 0 0 11 44 1 6 0 0 0 12 13 1 0 0 0 0 12 16 1 0 0 0 0 12 19 1 0 0 0 0 12 25 1 1 0 0 0 13 24 1 6 0 0 0 14 18 1 0 0 0 0 14 20 1 0 0 0 0 14 26 1 1 0 0 0 15 16 1 0 0 0 0 15 45 1 1 0 0 0 16 46 1 1 0 0 0 17 21 1 0 0 0 0 18 21 1 0 0 0 0 19 22 1 0 0 0 0 19 27 2 0 0 0 0 22 28 1 0 0 0 0 22 47 1 6 0 0 0 24 30 1 0 0 0 0 27 29 1 0 0 0 0 27 31 1 0 0 0 0 28 29 1 0 0 0 0 29 32 1 6 0 0 0 32 35 1 0 0 0 0 32 36 2 0 0 0 0 33 37 1 0 0 0 0 34 38 1 0 0 0 0 35 39 2 0 0 0 0 37 41 1 0 0 0 0 37 42 2 0 0 0 0 42 43 1 0 0 0 0 M END > CHEBI:181379 > [(1R,2S,4R,6R,9R,10S,11R,12S,14R,15R,18R)-14-Acetyloxy-6-(furan-3-yl)-10-(2-methoxy-2-oxoethyl)-7,9,11,15-tetramethyl-3,17-dioxapentacyclo[9.6.1.02,9.04,8.015,18]octadec-7-en-12-yl] (E)-2-methylbut-2-enoate > 2 > [(1R,2S,4R,6R,9R,10S,11R,12S,14R,15R,18R)-14-acetyloxy-6-(uran-3-yl)-10-(2-methoxy-2-oxoethyl)-7,9,11,15-tetramethyl-3,17-dioxapentacyclo[9.6.1.02,9.04,8.015,18]octadec-7-en-12-yl] (E)-2-methylbut-2-enoate > C34H44O9 > 596.717 > 596.29853 > 0 > O1[C@@]2([C@@]3([C@@]([C@@H]([C@]4([C@@]2(O[C@]5(C4=C([C@@H](C5)C=6C=COC6)C)[H])[H])C)CC(OC)=O)([C@@H](OC(=O)/C(/C)=C/C)C[C@@H](OC(=O)C)[C@]3(C1)C)C)[H])[H] > InChI=1S/C34H44O9/c1-9-17(2)31(37)43-25-14-24(41-19(4)35)32(5)16-40-28-29(32)33(25,6)23(13-26(36)38-8)34(7)27-18(3)21(20-10-11-39-15-20)12-22(27)42-30(28)34/h9-11,15,21-25,28-30H,12-14,16H2,1-8H3/b17-9+/t21-,22-,23+,24-,25+,28-,29+,30-,32-,33+,34-/m1/s1 > CJHBVBNPNXOWBA-HLIKQWNHSA-N > C08780 $$$$