Mrv1652304282205432D 56 57 0 0 1 0 999 V2000 2.0260 -2.4999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1975 -1.6929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6390 -3.0520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 -3.8589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6829 -4.1139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5114 -4.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1245 -5.4729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9091 -5.2179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5222 -5.7700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3507 -6.5769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9637 -7.1290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7484 -6.8740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9199 -6.0671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7045 -5.8121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3176 -6.3641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1022 -6.1092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1461 -7.1711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7922 -7.9359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9529 -6.2798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5660 -6.8319 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3945 -7.6388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6099 -7.8938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0076 -8.1909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4237 -2.7970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0368 -3.3490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8652 -4.1560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0806 -4.4110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4783 -4.7081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2630 -4.4531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3068 -5.5150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2413 -2.7549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6282 -2.2028 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7145 -3.0233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0470 -3.5082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7066 -3.1727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7929 -2.3522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1254 -1.8673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2117 -1.0468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4558 -0.5619 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.2094 -0.8974 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.2957 -1.7179 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0101 -1.3054 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7246 -1.7179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7246 -2.5429 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4391 -1.3054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4391 -0.4804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1536 -1.7179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8680 -1.3054 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7615 -0.2843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5820 -0.3706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3490 0.4301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6845 1.1838 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5420 0.2586 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6815 -1.6957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4681 -3.3589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1826 -3.7714 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 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 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 11 18 1 0 0 0 0 7 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 3 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 1 31 1 0 0 0 0 32 31 1 1 0 0 0 32 33 1 0 0 0 0 33 34 2 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 32 41 1 0 0 0 0 41 42 1 6 0 0 0 42 43 1 0 0 0 0 43 44 2 0 0 0 0 43 45 1 0 0 0 0 45 46 2 0 0 0 0 45 47 1 0 0 0 0 47 48 1 0 0 0 0 40 49 1 1 0 0 0 49 50 2 0 0 0 0 49 51 1 0 0 0 0 51 52 2 0 0 0 0 51 53 1 0 0 0 0 39 53 1 6 0 0 0 37 54 1 0 0 0 0 33 55 1 0 0 0 0 55 56 2 0 0 0 0 M END > NP0058358 > NP-MRD > CC(C)C(=C)CC\C(=C\CC\C(COC(C)=O)=C\CC\C(C)=C/COC(C)=O)C(=O)O[C@H]1[C@@H](OC(=O)C(=C)CO)[C@H]2[C@@H](OC(=O)C2=C)\C=C(C)\CC\C=C1\C=O > InChI=1S/C44H58O12/c1-27(2)30(5)19-20-36(17-12-16-35(26-53-34(9)48)15-10-13-28(3)21-22-52-33(8)47)44(51)55-40-37(25-46)18-11-14-29(4)23-38-39(32(7)43(50)54-38)41(40)56-42(49)31(6)24-45/h15,17-18,21,23,25,27,38-41,45H,5-7,10-14,16,19-20,22,24,26H2,1-4,8-9H3/b28-21-,29-23+,35-15-,36-17-,37-18-/t38-,39+,40+,41-/m0/s1 > QLBJSUHGWCUOJG-MARHIAQMSA-N > C44H58O12 > 778.936 > 778.392827308 > 7 > 114 > 84.46253527395545 > 0 > 1 > 0 > 0 > (3aR,4S,5R,11aS)-6-formyl-4-{[2-(hydroxymethyl)prop-2-enoyl]oxy}-10-methyl-3-methylidene-2-oxo-2H,3H,3aH,4H,5H,8H,9H,11aH-cyclodeca[b]furan-5-yl (2Z,6Z,10Z)-12-(acetyloxy)-6-[(acetyloxy)methyl]-10-methyl-2-(4-methyl-3-methylidenepentyl)dodeca-2,6,10-trienoate > 4.40 > 6.988357463333333 > -6.16 > 0 > 2 > 0 > 14.896230992794994 > -2.8441885637513726 > 168.8 > 214.01350000000002 > 24 > 0 > 5.39e-04 g/l > (3aR,4S,5R,11aS)-6-formyl-4-{[2-(hydroxymethyl)prop-2-enoyl]oxy}-10-methyl-3-methylidene-2-oxo-3aH,4H,5H,8H,9H,11aH-cyclodeca[b]furan-5-yl (2Z,6Z,10Z)-12-(acetyloxy)-6-[(acetyloxy)methyl]-10-methyl-2-(4-methyl-3-methylidenepentyl)dodeca-2,6,10-trienoate > 0 > NP0058358 > Clibadiolide $$$$