Mrv1652304292205332D 36 39 0 0 1 0 999 V2000 1.5841 0.3463 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.0193 -0.3057 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.1957 -0.2569 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.3952 0.5543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2803 1.1695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1039 1.1207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5579 1.8095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3815 1.7607 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.7510 1.0231 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.2969 0.3343 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.6664 -0.4034 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4900 -0.4522 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.9440 0.2366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5745 0.9743 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.0286 1.6631 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8521 1.6142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3062 2.3031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2216 0.8766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8595 -1.1898 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6830 -1.2386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0525 -1.9763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1371 -0.5498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2123 -1.0922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2050 1.7119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8355 2.4495 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4660 3.1871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6425 3.2360 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9201 3.8759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0892 1.9072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0123 0.5414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6826 0.9860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7315 1.8096 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3202 0.4624 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.6998 1.1949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8350 -0.1823 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0607 0.9624 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 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 10 9 1 6 0 0 0 1 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 9 14 1 0 0 0 0 14 15 1 1 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 12 19 1 6 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 11 23 1 6 0 0 0 9 24 1 1 0 0 0 8 25 1 1 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 5 29 1 0 0 0 0 3 30 1 1 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 31 33 1 0 0 0 0 2 33 1 0 0 0 0 33 34 1 1 0 0 0 33 35 1 0 0 0 0 2 35 1 6 0 0 0 1 36 1 6 0 0 0 M END > NP0082507 > NP-MRD > C[C@H]1[C@H](C[C@H](OC(C)=O)[C@]2(C)[C@H]1[C@@H](O)[C@]13O[C@@]1(C)C(=O)O[C@H]3\C=C(C)/CC[C@H]2OC(C)=O)OC(C)=O > InChI=1S/C26H36O10/c1-12-8-9-18(33-15(4)28)24(6)19(34-16(5)29)11-17(32-14(3)27)13(2)21(24)22(30)26-20(10-12)35-23(31)25(26,7)36-26/h10,13,17-22,30H,8-9,11H2,1-7H3/b12-10-/t13-,17-,18+,19-,20-,21+,22+,24+,25-,26-/m0/s1 > ANORPAFMDAXJBH-VYKRMYMLSA-N > C26H36O10 > 508.564 > 508.230847359 > 6 > 72 > 52.46521723328275 > 1 > 1 > 0 > 0 > (1R,2R,3S,4R,5S,7S,8R,9R,12Z,14S,17R)-5,7-bis(acetyloxy)-2-hydroxy-4,8,12,17-tetramethyl-16-oxo-15,18-dioxatetracyclo[12.4.0.0^{1,17}.0^{3,8}]octadec-12-en-9-yl acetate > 2.02 > 1.2737197249999994 > -3.75 > 1 > 4 > 0 > 13.54123993004131 > -3.43686165459993 > 137.96 > 122.848 > 6 > 0 > 8.97e-02 g/l > (1R,2R,3S,4R,5S,7S,8R,9R,12Z,14S,17R)-5,7-bis(acetyloxy)-2-hydroxy-4,8,12,17-tetramethyl-16-oxo-15,18-dioxatetracyclo[12.4.0.0^{1,17}.0^{3,8}]octadec-12-en-9-yl acetate > 0 > NP0082507 > (+)-Excavatolide L $$$$