Mrv1652304282211292D 24 26 0 0 1 0 999 V2000 2.8571 0.8217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2470 1.5487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8124 2.2499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9878 2.2242 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.5978 1.4972 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0325 0.7959 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.6425 0.0689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7732 1.4714 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.3386 2.1727 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7286 2.8997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5532 2.9254 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.9432 3.6524 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4626 1.9760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5232 1.1532 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.2406 0.8414 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.4373 0.0402 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2244 0.7186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9514 1.1086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6526 0.6740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1986 -0.1060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1669 2.8246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2079 0.7702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4981 2.7088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8155 3.0749 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 4 3 1 1 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 1 6 1 0 0 0 0 6 7 1 1 0 0 0 5 8 1 0 0 0 0 8 9 1 1 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 4 11 1 0 0 0 0 11 12 1 1 0 0 0 9 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 8 15 1 0 0 0 0 15 16 1 6 0 0 0 14 17 1 1 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 17 20 1 0 0 0 0 9 21 1 1 0 0 0 5 22 1 1 0 0 0 3 23 1 0 0 0 0 3 24 1 0 0 0 0 M END > NP0065243 > NP-MRD > C\C=C(/C)[C@H]1O[C@]2(C)C[C@@H](O)[C@H]3C(C)(C)CC[C@@H](O)[C@]3(C)[C@H]2[C@@H]1O > InChI=1S/C20H34O4/c1-7-11(2)15-14(23)17-19(5,24-15)10-12(21)16-18(3,4)9-8-13(22)20(16,17)6/h7,12-17,21-23H,8-10H2,1-6H3/b11-7+/t12-,13-,14-,15-,16+,17+,19-,20+/m1/s1 > FSMKXRWRQYROAW-WUBMLMNLSA-N > C20H34O4 > 338.488 > 338.245709575 > 4 > 58 > 38.899250410623836 > 1 > 3 > 0 > 1 > (1S,2R,3aR,5R,5aS,9R,9aS,9bS)-2-[(2E)-but-2-en-2-yl]-3a,6,6,9a-tetramethyl-dodecahydronaphtho[2,1-b]furan-1,5,9-triol > 2.16 > 1.7576959443333346 > -2.71 > 0 > 3 > 0 > 14.507855640438944 > 13.687198619927738 > -2.878300912183324 > 69.92 > 94.51619999999998 > 1 > 1 > 6.53e-01 g/l > (1S,2R,3aR,5R,5aS,9R,9aS,9bS)-2-[(2E)-but-2-en-2-yl]-3a,6,6,9a-tetramethyl-octahydro-1H-naphtho[2,1-b]furan-1,5,9-triol > 0 > NP0065243 > 8alpha,12R-Epoxy-13E-labden-1beta,6beta,11alpha-triol $$$$