Mrv1533004241508042D 49 52 0 0 0 0 999 V2000 3.5724 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 -3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 -3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 -3.7125 0.0000 O 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 -2.0625 0.0000 C 0 0 0 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 4.2868 -0.8250 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 5.0013 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8999 1.0445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9605 1.0445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1447 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1447 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 -0.8250 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 7.8592 0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5737 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5737 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2881 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0026 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0026 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7171 0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4315 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1460 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8605 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8605 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5749 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2894 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0039 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0039 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7184 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4328 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4328 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1473 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4295 0.7752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9598 -0.1433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1473 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8618 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4328 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7184 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7184 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0039 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2894 1.6500 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 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 4 0 0 0 4 5 1 0 0 0 0 2 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 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 8 19 1 0 0 0 0 12 19 1 0 0 0 0 19 20 1 0 0 0 0 16 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 27 28 1 0 0 0 0 29 28 1 4 0 0 0 29 30 2 0 0 0 0 30 31 1 0 0 0 0 30 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 2 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 39 41 1 0 0 0 0 39 42 1 0 0 0 0 42 43 1 0 0 0 0 42 44 1 0 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 34 46 1 0 0 0 0 38 46 1 0 0 0 0 46 47 1 0 0 0 0 35 48 1 0 0 0 0 9 49 1 0 0 0 0 M END > NP0151217 > NP-MRD > CC(CCC1C(C)=CCC2C(C)(C)C(CCC12C)OC(=O)CC(=O)OCC=C(C)CCC1C(C)=CCC2C(C)(C)C(O)CCC12C)=CCO > InChI=1S/C43H68O6/c1-28(21-25-44)11-15-33-31(4)14-18-35-41(7,8)37(20-24-43(33,35)10)49-39(47)27-38(46)48-26-22-29(2)12-16-32-30(3)13-17-34-40(5,6)36(45)19-23-42(32,34)9/h13-14,21-22,32-37,44-45H,11-12,15-20,23-27H2,1-10H3 > ZKPYMRHDNIJTEO-UHFFFAOYSA-N > C43H68O6 > 681.011 > 680.50158991 > 4 > 117 > 80.15956663713683 > 0 > 2 > 0 > 0 > 1-[5-(6-hydroxy-2,5,5,8a-tetramethyl-1,4,4a,5,6,7,8,8a-octahydronaphthalen-1-yl)-3-methylpent-2-en-1-yl] 5-(5-hydroxy-3-methylpent-3-en-1-yl)-1,1,4a,6-tetramethyl-1,2,3,4,4a,5,8,8a-octahydronaphthalen-2-yl propanedioate > 8.17 > 8.738956399 > -6.24 > 1 > 4 > 0 > 16.33009959232616 > 12.532517743156316 > -0.8068017253829097 > 93.06 > 201.28700000000003 > 14 > 0 > 3.92e-04 g/l > 1-[5-(6-hydroxy-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl)-3-methylpent-2-en-1-yl] 5-(5-hydroxy-3-methylpent-3-en-1-yl)-1,1,4a,6-tetramethyl-2,3,4,5,8,8a-hexahydronaphthalen-2-yl propanedioate > 0 > NP0151217 > 1-[5-(6-hydroxy-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl)-3-methylpent-2-en-1-yl] 5-(5-hydroxy-3-methylpent-3-en-1-yl)-1,1,4a,6-tetramethyl-2,3,4,5,8,8a-hexahydronaphthalen-2-yl propanedioate $$$$