Mrv1652304292201272D 40 43 0 0 1 0 999 V2000 1.5841 0.3463 0.0000 C 0 0 2 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 1 0 0 0 0 0 0 0 0 0 1.5579 1.8095 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.3815 1.7607 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.7510 1.0231 0.0000 C 0 0 2 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 0 0 0 0 0 0 0 0 0 0 3.4900 -0.4522 0.0000 C 0 0 0 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 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 1.1884 2.5471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8080 2.0798 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1996 1.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9980 1.3670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8885 2.0291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5336 1.3042 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 2 0 0 0 0 0 0 0 0 0 1.8718 -0.0715 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9076 1.0418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8428 -0.3545 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3888 -1.0434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7583 -1.7810 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5652 -0.9945 0.0000 C 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 9 10 1 0 0 0 0 1 10 1 0 0 0 0 10 11 1 6 0 0 0 11 12 2 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 11 19 1 0 0 0 0 9 20 1 6 0 0 0 8 21 1 6 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 7 25 1 1 0 0 0 6 26 1 1 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 5 30 1 0 0 0 0 3 31 1 1 0 0 0 31 32 1 0 0 0 0 32 33 2 0 0 0 0 32 34 1 0 0 0 0 2 34 1 0 0 0 0 34 35 1 0 0 0 0 2 35 1 6 0 0 0 34 36 1 1 0 0 0 1 37 1 1 0 0 0 37 38 1 0 0 0 0 38 39 2 0 0 0 0 38 40 1 0 0 0 0 M END > NP0078362 > NP-MRD > CC(=O)O[C@H]1CC=C(C)[C@@H]2[C@H](OC(C)=O)[C@]34O[C@@]3(C)C(=O)O[C@H]4\C=C(C)/[C@H](OC(C)=O)[C@@H](O)[C@H](OC(C)=O)[C@@]12C > InChI=1S/C28H36O12/c1-12-9-10-18(35-14(3)29)26(7)20(12)23(37-16(5)31)28-19(39-25(34)27(28,8)40-28)11-13(2)22(36-15(4)30)21(33)24(26)38-17(6)32/h9,11,18-24,33H,10H2,1-8H3/b13-11-/t18-,19-,20+,21+,22-,23-,24-,26-,27-,28-/m0/s1 > IDRQERODDPDPHL-UPMYMEJDSA-N > C28H36O12 > 564.584 > 564.220676599 > 7 > 76 > 56.56826485479712 > 1 > 1 > 0 > 0 > (1S,2S,3S,7S,8R,9R,10R,11S,12Z,14S,17R)-2,7,9-tris(acetyloxy)-10-hydroxy-4,8,12,17-tetramethyl-16-oxo-15,18-dioxatetracyclo[12.4.0.0^{1,17}.0^{3,8}]octadeca-4,12-dien-11-yl acetate > 2.06 > 0.696924702999998 > -3.94 > 1 > 4 > 0 > 13.078211394176012 > -3.639390336187411 > 164.26 > 133.8696 > 8 > 0 > 6.43e-02 g/l > (1S,2S,3S,7S,8R,9R,10R,11S,12Z,14S,17R)-2,7,9-tris(acetyloxy)-10-hydroxy-4,8,12,17-tetramethyl-16-oxo-15,18-dioxatetracyclo[12.4.0.0^{1,17}.0^{3,8}]octadeca-4,12-dien-11-yl acetate > 0 > NP0078362 > (+)-Briarlide P $$$$