Mrv1652304282211242D 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 0 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 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 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 -1.1986 -0.1060 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 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 -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 2.3778 2.9512 0.0000 O 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 3 4 1 0 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 2 0 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 9 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 16 17 2 0 0 0 0 13 18 1 0 0 0 0 8 18 1 0 0 0 0 18 19 1 6 0 0 0 9 20 1 1 0 0 0 5 21 1 1 0 0 0 4 22 1 6 0 0 0 3 23 1 0 0 0 0 3 24 1 0 0 0 0 M END > NP0065150 > NP-MRD > C\C(C=C)=C1\O[C@]2(C)CC[C@@]3(O)C(C)(C)CCC(=O)[C@]3(C)[C@H]2[C@@H]1O > InChI=1S/C20H30O4/c1-7-12(2)15-14(22)16-18(5,24-15)10-11-20(23)17(3,4)9-8-13(21)19(16,20)6/h7,14,16,22-23H,1,8-11H2,2-6H3/b15-12-/t14-,16+,18-,19-,20-/m1/s1 > DOQXTCHBKSIARN-HAZXEVORSA-N > C20H30O4 > 334.456 > 334.214409446 > 4 > 54 > 37.45549123569101 > 1 > 2 > 0 > 1 > (1S,2Z,3aR,5aR,9aR,9bS)-2-(but-3-en-2-ylidene)-1,5a-dihydroxy-3a,6,6,9a-tetramethyl-dodecahydronaphtho[2,1-b]furan-9-one > 2.56 > 2.2691597553333325 > -3.01 > 0 > 3 > 0 > 14.030528847529183 > 13.363558287684238 > -3.2993276292195937 > 66.76 > 94.094 > 1 > 1 > 3.28e-01 g/l > (1S,2Z,3aR,5aR,9aR,9bS)-2-(but-3-en-2-ylidene)-1,5a-dihydroxy-3a,6,6,9a-tetramethyl-hexahydronaphtho[2,1-b]furan-9-one > 0 > NP0065150 > Scapanin A $$$$