Mrv1652309022216372D 24 25 0 0 1 0 999 V2000 3.2789 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2789 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9934 0.8250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7079 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7079 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9934 2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4223 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1368 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4223 3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7079 3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9934 0.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7079 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2789 -0.4125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.2789 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5645 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9934 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5645 0.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.7798 -0.2549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5249 -1.0396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0769 -1.6527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2949 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4699 0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7798 1.0799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5645 0.8250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 1 6 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 5 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 3 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 14 16 1 0 0 0 0 13 17 1 0 0 0 0 17 18 1 6 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 18 21 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 24 23 1 1 0 0 0 2 24 1 0 0 0 0 17 24 1 0 0 0 0 M END > NP0157271 > NP-MRD > C\C=C(\C)C(=O)O[C@@H]1[C@@H](O)[C@@H](C(C)C)[C@H]2[C@@H](CC(=O)\C2=C\C)C1=C > InChI=1S/C20H28O4/c1-7-11(5)20(23)24-19-12(6)14-9-15(21)13(8-2)17(14)16(10(3)4)18(19)22/h7-8,10,14,16-19,22H,6,9H2,1-5H3/b11-7-,13-8-/t14-,16-,17+,18-,19-/m0/s1 > LEKWOAFHZQWGJG-UBHULIGYSA-N > C20H28O4 > 332.44 > 332.198759382 > 3 > 52 > 37.105876449900094 > 1 > 1 > 0 > 1 > (1E,3aR,5S,6S,7S,7aR)-1-ethylidene-6-hydroxy-4-methylidene-2-oxo-7-(propan-2-yl)-octahydro-1H-inden-5-yl (2Z)-2-methylbut-2-enoate > 3.19 > 3.8241742973333333 > -3.64 > 0 > 2 > 0 > 19.728435915791355 > 13.831054180074233 > -3.3100966190730015 > 63.6 > 94.84889999999997 > 4 > 1 > 7.66e-02 g/l > (1E,3aR,5S,6S,7S,7aR)-1-ethylidene-6-hydroxy-7-isopropyl-4-methylidene-2-oxo-hexahydroinden-5-yl (2Z)-2-methylbut-2-enoate > 0 > NP0157271 > (1e,3ar,5s,6s,7s,7ar)-1-ethylidene-6-hydroxy-7-isopropyl-4-methylidene-2-oxo-hexahydroinden-5-yl (2z)-2-methylbut-2-enoate $$$$