56642940 -OEChem-03182422032D 50 51 0 1 0 0 0 0 0999 V2000 3.5836 -1.3997 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7379 -0.5347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3958 -2.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1279 0.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7075 -0.5347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5298 -0.0950 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5298 -1.0950 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.3958 0.4050 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.3958 -1.5950 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.5836 0.2097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3958 1.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -0.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 -1.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 1.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2729 1.1602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 -0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9047 -1.8610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1279 1.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 2.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1279 0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7227 -0.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3655 -1.4744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1919 -2.4592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3503 -1.3007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9931 -2.0668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4399 0.7502 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4399 -1.9402 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0064 0.5127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9328 -1.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1838 1.9876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7853 1.2973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6870 1.6217 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6663 1.2881 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8589 -2.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0498 0.4876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4297 -2.2596 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3032 -2.3360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3796 -1.4625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6648 1.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8819 2.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 3.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6419 2.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5813 -2.3516 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0843 -3.0698 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8025 -2.5668 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5623 -0.7181 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5181 -2.4653 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3916 -2.5417 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4680 -1.6682 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 13 1 0 0 0 0 9 2 1 6 0 0 0 2 22 1 0 0 0 0 10 3 1 6 0 0 0 3 35 1 0 0 0 0 4 13 2 0 0 0 0 5 21 2 0 0 0 0 6 22 2 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 11 1 0 0 0 0 7 27 1 1 0 0 0 8 10 1 0 0 0 0 8 28 1 1 0 0 0 9 12 1 0 0 0 0 9 29 1 0 0 0 0 10 14 1 0 0 0 0 10 30 1 0 0 0 0 11 13 1 0 0 0 0 11 16 2 0 0 0 0 12 15 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 14 17 2 0 0 0 0 14 18 1 0 0 0 0 15 19 2 0 0 0 0 15 20 1 0 0 0 0 16 33 1 0 0 0 0 16 34 1 0 0 0 0 17 21 1 0 0 0 0 17 36 1 0 0 0 0 18 37 1 0 0 0 0 18 38 1 0 0 0 0 18 39 1 0 0 0 0 19 21 1 0 0 0 0 19 40 1 0 0 0 0 20 41 1 0 0 0 0 20 42 1 0 0 0 0 20 43 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 23 25 2 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 26 1 0 0 0 0 25 47 1 0 0 0 0 26 48 1 0 0 0 0 26 49 1 0 0 0 0 26 50 1 0 0 0 0 M END > 56642940 > 1 > 739 > 6 > 1 > 3 > AAADceB4OAAAAAAAAAAAAAAAAAAAASAAAAAAAAAAAAAAAACAAAAAGgAACAAADRSggAICCAAABgCIAqDSCAAAAAAgAAAACAEAAEgBFBIAIQACUAAFwAALMYPK7KTOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > [(3aR,4S,6Z,9E,11S,11aR)-11-hydroxy-6,10-dimethyl-3-methylene-2,8-dioxo-4,5,11,11a-tetrahydro-3aH-cyclodeca[b]furan-4-yl] (E)-2-methylbut-2-enoate > (E)-2-methyl-2-butenoic acid [(3aR,4S,6Z,9E,11S,11aR)-11-hydroxy-6,10-dimethyl-3-methylene-2,8-dioxo-4,5,11,11a-tetrahydro-3aH-cyclodeca[b]furan-4-yl] ester > [(3aR,4S,6Z,9E,11S,11aR)-11-hydroxy-6,10-dimethyl-3-methylidene-2,8-dioxo-4,5,11,11a-tetrahydro-3aH-cyclodeca[b]furan-4-yl] (E)-2-methylbut-2-enoate > [(3aR,4S,6Z,9E,11S,11aR)-11-hydroxy-6,10-dimethyl-3-methylidene-2,8-dioxo-4,5,11,11a-tetrahydro-3aH-cyclodeca[b]furan-4-yl] (E)-2-methylbut-2-enoate > [(3aR,4S,6Z,9E,11S,11aR)-6,10-dimethyl-3-methylidene-11-oxidanyl-2,8-bis(oxidanylidene)-4,5,11,11a-tetrahydro-3aH-cyclodeca[b]furan-4-yl] (E)-2-methylbut-2-enoate > (E)-2-methylbut-2-enoic acid [(3aR,4S,6Z,9E,11S,11aR)-11-hydroxy-2,8-diketo-6,10-dimethyl-3-methylene-4,5,11,11a-tetrahydro-3aH-cyclodeca[b]furan-4-yl] ester > InChI=1S/C20H24O6/c1-6-11(3)19(23)25-15-8-10(2)7-14(21)9-12(4)17(22)18-16(15)13(5)20(24)26-18/h6-7,9,15-18,22H,5,8H2,1-4H3/b10-7-,11-6+,12-9+/t15-,16+,17-,18+/m0/s1 > VUURQISRHJCAJY-HVQYRQBMSA-N > 1.7 > 360.15728848 > C20H24O6 > 360.4 > CC=C(C)C(=O)OC1CC(=CC(=O)C=C(C(C2C1C(=C)C(=O)O2)O)C)C > C/C=C(\C)/C(=O)O[C@H]1C/C(=C\C(=O)/C=C(/[C@@H]([C@H]2[C@@H]1C(=C)C(=O)O2)O)\C)/C > 89.9 > 360.15728848 > 0 > 26 > 4 > 0 > 3 > 0 > 0 > 1 > -1 > 1 5 255 > 9 2 6 10 3 6 7 27 5 8 28 5 $$$$