11256548 -OEChem-09272320522D 49 50 0 1 0 0 0 0 0999 V2000 3.3041 0.5408 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1419 -1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9861 0.9579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.8239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8740 -1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2759 3.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2759 -0.2500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1419 -0.7500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2759 0.7500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0080 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0080 0.7500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6088 -0.9870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4099 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9511 -0.5149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6771 1.4931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1419 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4099 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6071 -1.9870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0080 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1419 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2759 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0080 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5439 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8740 -3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1419 -3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4078 -1.0897 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6789 -1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0120 1.1750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2200 -0.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6186 -0.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8273 1.0380 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1379 1.0783 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0920 1.9539 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2164 1.9080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9299 0.6674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0696 -2.2961 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1435 -2.2979 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4010 0.4972 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6789 2.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0080 -3.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8539 3.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0069 3.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2339 2.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5640 -4.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4109 -4.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1840 -3.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8320 -3.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6050 -4.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4520 -4.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 14 1 0 0 0 0 8 2 1 1 0 0 0 2 19 1 0 0 0 0 11 3 1 6 0 0 0 3 38 1 0 0 0 0 4 14 2 0 0 0 0 5 19 2 0 0 0 0 6 21 2 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 12 1 0 0 0 0 7 26 1 6 0 0 0 8 10 1 0 0 0 0 8 27 1 0 0 0 0 9 13 1 0 0 0 0 9 28 1 1 0 0 0 10 11 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 11 15 1 0 0 0 0 11 16 1 0 0 0 0 12 14 1 0 0 0 0 12 18 2 0 0 0 0 13 17 2 0 0 0 0 13 31 1 0 0 0 0 15 32 1 0 0 0 0 15 33 1 0 0 0 0 15 34 1 0 0 0 0 16 20 2 0 0 0 0 16 35 1 0 0 0 0 17 21 1 0 0 0 0 17 23 1 0 0 0 0 18 36 1 0 0 0 0 18 37 1 0 0 0 0 19 22 1 0 0 0 0 20 21 1 0 0 0 0 20 39 1 0 0 0 0 22 24 1 0 0 0 0 22 25 1 0 0 0 0 22 40 1 0 0 0 0 23 41 1 0 0 0 0 23 42 1 0 0 0 0 23 43 1 0 0 0 0 24 44 1 0 0 0 0 24 45 1 0 0 0 0 24 46 1 0 0 0 0 25 47 1 0 0 0 0 25 48 1 0 0 0 0 25 49 1 0 0 0 0 M END > 11256548 > 1 > 671 > 6 > 1 > 3 > AAADceB4OAAAAAAAAAAAAAAAAAAAASAAAAAAAAAAAAAAAACAAAAAGgAACAAADVSggAICCAAABgCIAqDSCAAAAAAgAAAICAEAAEgABBIAIQACUAAFwAAIMYPK6HyOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > [(3aR,4R,6R,7E,10Z,11aR)-6-hydroxy-6,10-dimethyl-3-methylene-2,9-dioxo-3a,4,5,11a-tetrahydrocyclodeca[b]furan-4-yl] 2-methylpropanoate > 2-methylpropanoic acid [(3aR,4R,6R,7E,10Z,11aR)-6-hydroxy-6,10-dimethyl-3-methylene-2,9-dioxo-3a,4,5,11a-tetrahydrocyclodeca[b]furan-4-yl] ester > [(3aR,4R,6R,7E,10Z,11aR)-6-hydroxy-6,10-dimethyl-3-methylidene-2,9-dioxo-3a,4,5,11a-tetrahydrocyclodeca[b]furan-4-yl] 2-methylpropanoate > [(3aR,4R,6R,7E,10Z,11aR)-6-hydroxy-6,10-dimethyl-3-methylidene-2,9-dioxo-3a,4,5,11a-tetrahydrocyclodeca[b]furan-4-yl] 2-methylpropanoate > [(3aR,4R,6R,7E,10Z,11aR)-6,10-dimethyl-3-methylidene-6-oxidanyl-2,9-bis(oxidanylidene)-3a,4,5,11a-tetrahydrocyclodeca[b]furan-4-yl] 2-methylpropanoate > 2-methylpropionic acid [(3aR,4R,6R,7E,10Z,11aR)-6-hydroxy-2,9-diketo-6,10-dimethyl-3-methylene-3a,4,5,11a-tetrahydrocyclodeca[b]furan-4-yl] ester > InChI=1S/C19H24O6/c1-10(2)17(21)25-15-9-19(5,23)7-6-13(20)11(3)8-14-16(15)12(4)18(22)24-14/h6-8,10,14-16,23H,4,9H2,1-3,5H3/b7-6+,11-8-/t14-,15-,16+,19+/m1/s1 > DUQSSEQKLJQACA-FESGBCJUSA-N > 2.1 > 348.15728848 > C19H24O6 > 348.4 > CC1=CC2C(C(CC(C=CC1=O)(C)O)OC(=O)C(C)C)C(=C)C(=O)O2 > C/C/1=C/[C@@H]2[C@@H]([C@@H](C[C@@](/C=C/C1=O)(C)O)OC(=O)C(C)C)C(=C)C(=O)O2 > 89.9 > 348.15728848 > 0 > 25 > 4 > 0 > 2 > 0 > 0 > 1 > 1 > 1 5 255 > 8 2 5 11 3 6 7 26 6 9 28 5 $$$$