Mrv1533004201505222D 29 30 0 0 0 0 999 V2000 -3.4051 1.7728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7924 1.0444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6169 1.0156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0042 0.2871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5670 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3915 -0.4413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8287 0.2583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6532 0.2296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0405 -0.4989 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.0904 0.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7425 -0.3837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3054 -1.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6927 -1.8118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2555 -2.5114 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5172 -1.8406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9543 -1.1409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7788 -1.1697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1662 -1.8982 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.9907 -1.9269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3780 -2.6554 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.4278 -1.2273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3552 0.3447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6137 -0.0169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6408 0.7572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9263 0.3447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2118 0.7572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2118 1.5822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4973 0.3447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2171 0.7572 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 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 5 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 2 0 0 0 0 5 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 11 22 1 0 0 0 0 2 22 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 28 29 2 0 0 0 0 M END > NP0174731 > NP-MRD > CC1CCC2(COC(C)=O)C(CC(=O)C=C2COC(C)=O)C1(C)CCC(=C)C=C > InChI=1S/C24H34O5/c1-7-16(2)8-10-23(6)17(3)9-11-24(15-29-19(5)26)20(14-28-18(4)25)12-21(27)13-22(23)24/h7,12,17,22H,1-2,8-11,13-15H2,3-6H3 > TVHBORUAMQYHMZ-UHFFFAOYSA-N > C24H34O5 > 402.531 > 402.240624195 > 3 > 63 > 44.32983044822897 > 1 > 0 > 0 > 1 > {5-[(acetyloxy)methyl]-1,2-dimethyl-1-(3-methylidenepent-4-en-1-yl)-7-oxo-1,2,3,4,4a,7,8,8a-octahydronaphthalen-4a-yl}methyl acetate > 4.02 > 3.6373295449999987 > -5.81 > 0 > 2 > 0 > 19.68617227454146 > -5.979639951188725 > 69.67000000000002 > 112.79369999999999 > 10 > 1 > 6.20e-04 g/l > {5-[(acetyloxy)methyl]-1,2-dimethyl-1-(3-methylidenepent-4-en-1-yl)-7-oxo-3,4,8,8a-tetrahydro-2H-naphthalen-4a-yl}methyl acetate > 0 > NP0174731 > {5-[(acetyloxy)methyl]-1,2-dimethyl-1-(3-methylidenepent-4-en-1-yl)-7-oxo-3,4,8,8a-tetrahydro-2h-naphthalen-4a-yl}methyl acetate $$$$