Mrv1652309122214032D 34 38 0 0 1 0 999 V2000 3.7114 -1.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4311 -0.7991 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.9629 -0.1684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7875 -0.1416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0168 0.6509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3340 1.1139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6826 0.6076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8705 0.7528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3387 0.1221 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6190 -0.6539 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.0872 -1.2846 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3675 -2.0605 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2751 -1.1393 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7433 -1.7701 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0235 -2.5460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8357 -2.6912 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4917 -3.1767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7720 -3.9526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2402 -4.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5205 -5.3592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0113 -5.9899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8234 -5.8447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1037 -5.0688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5719 -4.4381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9948 -0.3634 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.4630 -0.9941 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1827 -0.2182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1807 -1.0432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6302 -0.3595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0976 0.5577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4342 1.1884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2463 1.0432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5266 0.2673 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0584 0.8980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 6 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 3 7 2 0 0 0 0 7 8 1 0 0 0 0 9 8 1 1 0 0 0 10 9 1 6 0 0 0 2 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 1 0 0 0 11 13 1 0 0 0 0 13 14 1 1 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 2 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 2 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 19 24 1 0 0 0 0 13 25 1 0 0 0 0 25 26 1 6 0 0 0 25 27 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 27 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 9 33 1 0 0 0 0 25 33 1 0 0 0 0 33 34 1 1 0 0 0 M END > NP0328512 > NP-MRD > C[C@@H]1[C@@H]2[C@@H](O)[C@@H](OC(=O)\C=C\C3=CC=CC=C3)[C@@]3(O)C(C)(C)CCC[C@]3(C)[C@H]2CC2=C1C=CO2 > InChI=1S/C29H36O5/c1-18-20-13-16-33-22(20)17-21-24(18)25(31)26(29(32)27(2,3)14-8-15-28(21,29)4)34-23(30)12-11-19-9-6-5-7-10-19/h5-7,9-13,16,18,21,24-26,31-32H,8,14-15,17H2,1-4H3/b12-11+/t18-,21-,24-,25+,26+,28+,29+/m0/s1 > IGNZARMTFKDIDD-PSGKSZDDSA-N > C29H36O5 > 464.602 > 464.256274259 > 3 > 70 > 52.49635060490853 > 1 > 2 > 0 > 0 > (1S,2R,7R,8R,9R,10S,11R)-7,9-dihydroxy-2,6,6,11-tetramethyl-15-oxatetracyclo[8.7.0.0^{2,7}.0^{12,16}]heptadeca-12(16),13-dien-8-yl (2E)-3-phenylprop-2-enoate > 5.4615158076666654 > 0 > 5 > 0 > 13.983617846481124 > 13.015471444138768 > -2.745233263730201 > 79.9 > 130.7143 > 4 > 0 > (1S,2R,7R,8R,9R,10S,11R)-7,9-dihydroxy-2,6,6,11-tetramethyl-15-oxatetracyclo[8.7.0.0^{2,7}.0^{12,16}]heptadeca-12(16),13-dien-8-yl (2E)-3-phenylprop-2-enoate > 0 > NP0328512 > (4ar,5r,6r,6as,7r,11as,11br)-4a,6-dihydroxy-4,4,7,11b-tetramethyl-1h,2h,3h,5h,6h,6ah,7h,11h,11ah-phenanthro[3,2-b]furan-5-yl (2e)-3-phenylprop-2-enoate $$$$