Mrv1652309062209452D 39 43 0 0 1 0 999 V2000 -0.4453 3.4161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6047 2.6067 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0166 2.0639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7973 2.3306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1428 1.2545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9235 0.9878 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4785 0.7117 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.2148 -0.0700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4721 0.3870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4045 -0.6152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5811 -0.8093 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0383 -1.4306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3050 -2.2113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1144 -2.3707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2378 -2.8326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3628 -1.0730 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4183 -1.8961 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1020 -0.7067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3657 0.0751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1891 0.0227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5554 -0.7165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3787 -0.7689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7450 -1.5081 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8357 -0.0821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4694 0.6571 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9265 1.3440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6394 2.1174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2863 2.6294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9732 2.1724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7508 1.3779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6461 0.7095 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.1031 1.3964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2798 1.4487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4564 1.5011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9994 0.8143 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.2177 1.0780 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.1622 1.9011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0214 -0.0156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3228 0.4233 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 7 5 1 6 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 11 12 1 1 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 15 2 0 0 0 0 11 16 1 0 0 0 0 16 17 1 6 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 6 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 26 30 2 0 0 0 0 25 31 1 0 0 0 0 20 31 1 0 0 0 0 31 32 1 6 0 0 0 31 33 1 0 0 0 0 33 34 1 0 0 0 0 35 34 1 1 0 0 0 19 35 1 0 0 0 0 35 36 1 0 0 0 0 7 36 1 0 0 0 0 36 37 1 6 0 0 0 36 38 1 0 0 0 0 16 38 1 0 0 0 0 38 39 2 0 0 0 0 M END > NP0228202 > NP-MRD > COC(=O)C(O)[C@H]1C(C)(C)[C@H](OC(C)=O)[C@]2(O)CC3=C4CC(=O)O[C@@H](C5=COC=C5)[C@]4(C)CC[C@@H]3[C@@]1(C)C2=O > InChI=1S/C29H36O10/c1-14(30)38-25-26(2,3)21(20(32)23(33)36-6)28(5)17-7-9-27(4)18(16(17)12-29(25,35)24(28)34)11-19(31)39-22(27)15-8-10-37-13-15/h8,10,13,17,20-22,25,32,35H,7,9,11-12H2,1-6H3/t17-,20?,21-,22-,25-,27+,28+,29-/m0/s1 > JWYNOYIKTIPXBD-QITASBRFSA-N > C29H36O10 > 544.597 > 544.230847359 > 6 > 75 > 55.327117680377775 > 1 > 2 > 0 > 0 > methyl 2-[(1R,2S,5R,6R,13R,14S,16S)-14-(acetyloxy)-6-(furan-3-yl)-13-hydroxy-1,5,15,15-tetramethyl-8,17-dioxo-7-oxatetracyclo[11.3.1.0^{2,11}.0^{5,10}]heptadec-10-en-16-yl]-2-hydroxyacetate > 1.9378248463333323 > 1 > 5 > 0 > 12.558881639556557 > 11.858828032497748 > -2.8888610792405838 > 149.57000000000002 > 134.63 > 6 > 0 > methyl [(1R,2S,5R,6R,13R,14S,16S)-14-(acetyloxy)-6-(furan-3-yl)-13-hydroxy-1,5,15,15-tetramethyl-8,17-dioxo-7-oxatetracyclo[11.3.1.0^{2,11}.0^{5,10}]heptadec-10-en-16-yl](hydroxy)acetate > 0 > NP0228202 > methyl 2-[(1r,2s,5r,6r,13r,14s,16s)-14-(acetyloxy)-6-(furan-3-yl)-13-hydroxy-1,5,15,15-tetramethyl-8,17-dioxo-7-oxatetracyclo[11.3.1.0²,¹¹.0⁵,¹⁰]heptadec-10-en-16-yl]-2-hydroxyacetate $$$$