Mrv1652304282211492D 29 30 0 0 1 0 999 V2000 -2.1434 -1.2375 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 0 0 0 0 0 0 0 0 0 0 -3.5724 -0.4125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.5724 -1.2375 0.0000 C 0 0 2 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 -4.2868 -1.6500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.0013 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0013 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2868 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7158 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2868 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0013 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0013 -3.7125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.7158 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7158 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4302 -5.3625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2868 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4706 0.7284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2452 0.7284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -1.2375 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 1 6 1 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 4 10 1 6 0 0 0 8 11 1 0 0 0 0 7 12 1 6 0 0 0 12 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 0 0 0 0 14 18 1 6 0 0 0 5 19 1 1 0 0 0 3 20 1 0 0 0 0 3 21 1 0 0 0 0 1 22 1 1 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 23 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 1 0 0 0 0 M END > NP0065640 > NP-MRD > COC(=O)CC(=O)O[C@@H]1CC(C)(C)[C@H]2CC=C(C)[C@@H](CC[C@H](C)CCO)[C@@]2(C)C1 > InChI=1S/C24H40O5/c1-16(11-12-25)7-9-19-17(2)8-10-20-23(3,4)14-18(15-24(19,20)5)29-22(27)13-21(26)28-6/h8,16,18-20,25H,7,9-15H2,1-6H3/t16-,18+,19+,20+,24+/m0/s1 > XHWGHIJXIYCDEW-PWFQQWTISA-N > C24H40O5 > 408.579 > 408.287574388 > 3 > 69 > 47.14993993267573 > 1 > 1 > 0 > 1 > (2R,4aR,8R,8aS)-8-[(3S)-5-hydroxy-3-methylpentyl]-4,4,7,8a-tetramethyl-1,2,3,4,4a,5,8,8a-octahydronaphthalen-2-yl 1-methyl propanedioate > 5.36 > 4.443578182666667 > -5.16 > 0 > 2 > 0 > 17.109798095183493 > 12.359419393207496 > -1.8759696676774835 > 72.83 > 114.36449999999996 > 10 > 1 > 2.84e-03 g/l > (2R,4aR,8R,8aS)-8-[(3S)-5-hydroxy-3-methylpentyl]-4,4,7,8a-tetramethyl-1,2,3,4a,5,8-hexahydronaphthalen-2-yl 1-methyl propanedioate > 0 > NP0065640 > 2beta,15-Dihydroxy-ent-7-labdene-2-O-methylmalonate $$$$