Mrv1533004161501412D 31 33 0 0 0 0 999 V2000 4.2656 1.3562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6685 0.7404 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7880 0.6363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4300 1.3796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6257 1.5632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8026 2.4599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2764 3.1853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1002 3.1400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9807 1.0488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8952 1.9377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9807 0.2238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2374 -0.1341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4442 0.3306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1875 -0.0273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2492 -0.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9925 -1.2080 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6741 -0.7432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5675 -1.3148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6292 -2.1375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0525 -2.6022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1758 -0.9568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6257 -0.2905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7830 -1.2075 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2535 -1.9568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3940 0.6363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4229 0.9392 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0765 1.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7413 1.8881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5797 2.4329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4300 -0.1070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0829 -0.6695 0.0000 O 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 2 0 0 0 0 5 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 15 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 18 21 2 0 0 0 0 12 21 1 0 0 0 0 11 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 22 25 1 0 0 0 0 5 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 22 30 1 0 0 0 0 3 30 1 0 0 0 0 30 31 2 0 0 0 0 M END > NP0220273 > NP-MRD > COC1CC2(CC=C)C(C)C(C3=CC=C(OC)C(OC)=C3)C(OC)(C2OC(C)=O)C1=O > InChI=1S/C24H32O7/c1-8-11-23-13-19(29-6)21(26)24(30-7,22(23)31-15(3)25)20(14(23)2)16-9-10-17(27-4)18(12-16)28-5/h8-10,12,14,19-20,22H,1,11,13H2,2-7H3 > BPYVAFSAQBOGPV-UHFFFAOYSA-N > C24H32O7 > 432.513 > 432.21480337 > 6 > 63 > 45.762255627127516 > 1 > 0 > 0 > 1 > 7-(3,4-dimethoxyphenyl)-1,3-dimethoxy-6-methyl-2-oxo-5-(prop-2-en-1-yl)bicyclo[3.2.1]octan-8-yl acetate > 3.43 > 3.2441073313333337 > -4.89 > 1 > 3 > 0 > 19.07166327559625 > -3.816776349616758 > 80.29 > 114.2387 > 9 > 1 > 5.60e-03 g/l > 7-(3,4-dimethoxyphenyl)-1,3-dimethoxy-6-methyl-2-oxo-5-(prop-2-en-1-yl)bicyclo[3.2.1]octan-8-yl acetate > 0 > NP0220273 > 7-(3,4-dimethoxyphenyl)-1,3-dimethoxy-6-methyl-2-oxo-5-(prop-2-en-1-yl)bicyclo[3.2.1]octan-8-yl acetate $$$$