Mrv1652309092222082D 24 25 0 0 1 0 999 V2000 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4289 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -0.4125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.1434 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 0.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8579 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -1.2375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4289 -1.6500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4289 -2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -1.2375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0000 -1.6500 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 4 2 1 1 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 1 0 0 0 6 8 1 0 0 0 0 8 9 1 1 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 14 13 1 6 0 0 0 6 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 6 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 21 2 0 0 0 0 21 22 1 0 0 0 0 15 23 1 0 0 0 0 4 23 1 0 0 0 0 23 24 1 6 0 0 0 M END > NP0289783 > NP-MRD > C\C=C(/C)C(=O)O[C@@H]1[C@H](O)[C@H](C[C@]2(C)[C@@H](C)CC(=O)C[C@H]12)C(C)=C > InChI=1S/C20H30O4/c1-7-12(4)19(23)24-18-16-9-14(21)8-13(5)20(16,6)10-15(11(2)3)17(18)22/h7,13,15-18,22H,2,8-10H2,1,3-6H3/b12-7+/t13-,15+,16+,17+,18-,20+/m0/s1 > WLNBDZUPCWZZJJ-KDVDESOOSA-N > C20H30O4 > 334.456 > 334.214409446 > 3 > 54 > 37.43376022477218 > 1 > 1 > 0 > 1 > (1S,2R,3R,4aR,5S,8aS)-2-hydroxy-4a,5-dimethyl-7-oxo-3-(prop-1-en-2-yl)-decahydronaphthalen-1-yl (2E)-2-methylbut-2-enoate > 3.652893708333333 > 0 > 2 > 0 > 18.24156424934293 > 13.85368988229786 > -3.3001779905447535 > 63.60000000000001 > 93.9506 > 4 > 1 > (1S,2R,3R,4aR,5S,8aS)-2-hydroxy-4a,5-dimethyl-7-oxo-3-(prop-1-en-2-yl)-octahydronaphthalen-1-yl (2E)-2-methylbut-2-enoate > 0 > NP0289783 > (1s,2r,3r,4ar,5s,8as)-2-hydroxy-4a,5-dimethyl-7-oxo-3-(prop-1-en-2-yl)-octahydronaphthalen-1-yl (2e)-2-methylbut-2-enoate $$$$