Mrv1652309072210552D 32 34 0 0 1 0 999 V2000 -1.4591 3.7982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0722 3.2462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8568 3.5011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9007 2.4392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1160 2.1842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9445 1.3773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1599 1.1223 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.0451 1.9393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5472 0.3939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1100 -0.3057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.2769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1018 0.4515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6646 1.1511 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.0519 1.8796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8764 1.9083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3136 1.2087 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1381 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9263 0.4803 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.9838 -0.3427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6408 0.0678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6408 -0.7572 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3552 -1.1697 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0697 -0.7572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0697 0.0678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7842 -1.1697 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9263 -1.1697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1726 -0.8342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6206 -1.4473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1999 -1.3610 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0331 -2.1617 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8400 -1.9902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4531 -2.5422 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 7 6 1 1 0 0 0 7 8 1 6 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 13 12 1 6 0 0 0 7 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 1 0 0 0 16 18 1 0 0 0 0 12 18 1 0 0 0 0 18 19 1 6 0 0 0 18 20 1 1 0 0 0 20 21 1 0 0 0 0 21 22 1 1 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 23 25 2 0 0 0 0 21 26 1 0 0 0 0 26 27 2 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 28 30 1 0 0 0 0 30 31 1 0 0 0 0 26 31 1 0 0 0 0 31 32 1 0 0 0 0 M END > NP0247181 > NP-MRD > C[C@@H]1CC[C@@H]2C(=CCC[C@@]2(C)CCCC(C)=C)[C@]1(C)C[C@@H](OC(C)=O)C1=CC(=O)OC1O > InChI=1S/C27H40O5/c1-17(2)9-7-13-26(5)14-8-10-22-21(26)12-11-18(3)27(22,6)16-23(31-19(4)28)20-15-24(29)32-25(20)30/h10,15,18,21,23,25,30H,1,7-9,11-14,16H2,2-6H3/t18-,21-,23-,25?,26-,27-/m1/s1 > LUZPPGGVQBQOEH-UMUHMQMUSA-N > C27H40O5 > 444.612 > 444.287574388 > 3 > 72 > 50.10458279407866 > 1 > 1 > 0 > 0 > (1R)-2-[(1R,2R,4aS,5R)-1,2,5-trimethyl-5-(4-methylpent-4-en-1-yl)-1,2,3,4,4a,5,6,7-octahydronaphthalen-1-yl]-1-(2-hydroxy-5-oxo-2,5-dihydrofuran-3-yl)ethyl acetate > 5.602422962333333 > 1 > 3 > -1 > 11.731356919351496 > 5.403165323982756 > -4.303387498546837 > 72.83000000000001 > 125.70319999999998 > 9 > 0 > (1R)-2-[(1R,2R,4aS,5R)-1,2,5-trimethyl-5-(4-methylpent-4-en-1-yl)-2,3,4,4a,6,7-hexahydronaphthalen-1-yl]-1-(2-hydroxy-5-oxo-2H-furan-3-yl)ethyl acetate > 0 > NP0247181 > (1r)-2-[(1r,2r,4as,5r)-1,2,5-trimethyl-5-(4-methylpent-4-en-1-yl)-2,3,4,4a,6,7-hexahydronaphthalen-1-yl]-1-(2-hydroxy-5-oxo-2h-furan-3-yl)ethyl acetate $$$$