Mrv1533004171517052D 28 29 0 0 0 0 999 V2000 -8.0788 -0.0081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3643 0.4044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6499 -0.0081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6499 -0.8331 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9354 0.4044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2209 -0.0081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2209 -0.8331 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5065 0.4044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7920 -0.0081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0775 0.4044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3630 -0.0081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3630 -0.8331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6486 0.4044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6486 1.2294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9341 1.6419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4644 2.2739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6519 0.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1605 0.7234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6908 1.3554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4087 2.1306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2211 1.9874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4038 2.2739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6860 3.0491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1557 3.6811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4378 4.4564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6568 3.5379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9390 2.7626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7514 2.6194 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 2 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 10 9 1 4 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 11 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 15 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 15 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 26 27 2 0 0 0 0 20 27 1 0 0 0 0 27 28 1 0 0 0 0 M END > NP0260677 > NP-MRD > COC(=O)CC(=O)OCC=C(C)CCC1(C)CCCC2(C)C1CC(=O)C=C2C > InChI=1S/C23H34O5/c1-16(8-12-28-21(26)15-20(25)27-5)7-11-22(3)9-6-10-23(4)17(2)13-18(24)14-19(22)23/h8,13,19H,6-7,9-12,14-15H2,1-5H3 > WIVVKYOJHXCGPE-UHFFFAOYSA-N > C23H34O5 > 390.52 > 390.240624195 > 3 > 62 > 43.855257474630505 > 1 > 0 > 0 > 1 > 1-[5-(1,4a,5-trimethyl-7-oxo-1,2,3,4,4a,7,8,8a-octahydronaphthalen-1-yl)-3-methylpent-2-en-1-yl] 3-methyl propanedioate > 5.17 > 4.4741330129999985 > -5.32 > 0 > 2 > 0 > 13.044379818111238 > -4.705801224022596 > 69.67000000000002 > 109.46049999999997 > 9 > 1 > 1.86e-03 g/l > 1-[5-(1,4a,5-trimethyl-7-oxo-3,4,8,8a-tetrahydro-2H-naphthalen-1-yl)-3-methylpent-2-en-1-yl] 3-methyl propanedioate > 0 > NP0260677 > 1-[5-(1,4a,5-trimethyl-7-oxo-3,4,8,8a-tetrahydro-2h-naphthalen-1-yl)-3-methylpent-2-en-1-yl] 3-methyl propanedioate $$$$