Mrv1652309072219492D 40 43 0 0 1 0 999 V2000 3.6173 -1.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8861 -2.0651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5330 -3.0350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8713 -1.7685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9060 -0.9442 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.2096 -0.5020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4784 -0.8840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4436 -1.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2181 -0.4418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1834 0.3824 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.7727 0.9598 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4057 1.6987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7877 2.4299 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5165 1.6265 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.6158 2.3770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1836 1.2902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5478 0.7645 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.2443 0.3223 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.5321 1.0955 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0063 1.7313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1928 1.5939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2941 2.5045 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9755 0.7043 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.0102 1.5286 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.7610 2.3150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2846 1.9212 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7415 1.9107 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.7762 2.7349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5074 3.1170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5421 3.9412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2039 2.6748 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4379 1.4684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4032 0.6442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6720 0.2621 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.3685 -0.1801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6372 -0.5622 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3337 -1.0044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2990 -1.8286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9955 -2.2709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5678 -2.2107 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 5 4 1 6 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 1 6 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 1 0 0 0 14 16 1 0 0 0 0 17 16 1 1 0 0 0 10 17 1 0 0 0 0 14 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 1 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 22 2 0 0 0 0 18 23 1 0 0 0 0 23 24 1 1 0 0 0 24 25 1 1 0 0 0 24 26 1 6 0 0 0 24 27 1 0 0 0 0 27 28 1 6 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 29 31 2 0 0 0 0 27 32 1 0 0 0 0 32 33 2 0 0 0 0 33 34 1 0 0 0 0 23 34 1 0 0 0 0 34 35 1 6 0 0 0 34 36 1 0 0 0 0 5 36 1 0 0 0 0 36 37 1 1 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 38 40 2 0 0 0 0 M END > NP0253831 > NP-MRD > CC(=O)O[C@@H]1C=C[C@]2(C)[C@@H]([C@@H](OC(C)=O)[C@@]34O[C@@]3(C)C(=O)O[C@H]4\C=C(C)/C[C@@H](OC(C)=O)[C@@H]2OC(C)=O)[C@]1(C)O > InChI=1S/C28H36O12/c1-13-11-18(35-14(2)29)22(37-16(4)31)25(6)10-9-19(36-15(3)30)26(7,34)21(25)23(38-17(5)32)28-20(12-13)39-24(33)27(28,8)40-28/h9-10,12,18-23,34H,11H2,1-8H3/b13-12-/t18-,19-,20+,21-,22+,23-,25-,26-,27+,28-/m1/s1 > WHOHBNAPLIHMRD-UIODFZPNSA-N > C28H36O12 > 564.584 > 564.220676599 > 2.06 > -4.19 > 3.65e-02 g/l > NP0253831 > (1r,2r,3s,4s,5r,8r,9r,10r,12z,14s,17r)-5,9,10-tris(acetyloxy)-4-hydroxy-4,8,12,17-tetramethyl-16-oxo-15,18-dioxatetracyclo[12.4.0.0¹,¹⁷.0³,⁸]octadeca-6,12-dien-2-yl acetate $$$$