Mrv1652309092204332D 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 6.1368 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8513 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5658 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9934 0.0000 0.0000 C 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 2 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 3 12 1 0 0 0 0 12 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 > NP0277769 > NP-MRD > CC\C(C)=C\C(=O)O[C@@H]1C[C@@H](C(C)C)[C@H]2[C@@H](CC(=O)\C2=C\C)C1=C > InChI=1S/C21H30O3/c1-7-13(5)9-20(23)24-19-11-16(12(3)4)21-15(8-2)18(22)10-17(21)14(19)6/h8-9,12,16-17,19,21H,6-7,10-11H2,1-5H3/b13-9+,15-8-/t16-,17-,19+,21-/m0/s1 > ORVROQPLYIDWBD-UICFAFJGSA-N > C21H30O3 > 330.468 > 330.219494826 > 2 > 54 > 38.56891347943068 > 1 > 0 > 0 > 1 > (1E,3aR,5R,7S,7aS)-1-ethylidene-4-methylidene-2-oxo-7-(propan-2-yl)-octahydro-1H-inden-5-yl (2E)-3-methylpent-2-enoate > 5.113503621666667 > 0 > 2 > 0 > -4.818892740070549 > 43.370000000000005 > 98.09029999999998 > 5 > 0 > (1E,3aR,5R,7S,7aS)-1-ethylidene-7-isopropyl-4-methylidene-2-oxo-hexahydroinden-5-yl (2E)-3-methylpent-2-enoate > 0 > NP0277769 > (1e,3ar,5r,7s,7as)-1-ethylidene-7-isopropyl-4-methylidene-2-oxo-hexahydroinden-5-yl (2e)-3-methylpent-2-enoate $$$$