Mrv1533004251505522D 38 39 0 0 0 0 999 V2000 3.6769 2.3687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9624 1.9562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2479 2.3687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2479 3.1937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5335 1.9562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8190 2.3687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5335 1.1312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8029 0.0533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5335 -1.0246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5335 -1.8496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2479 -2.2621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2479 -3.0871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9624 -3.4996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5335 -3.4996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7713 -0.7089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4555 0.0533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3695 0.0533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7820 0.7678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6070 0.7678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0195 1.4822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0195 0.0533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7713 0.8155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1879 1.3989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4014 2.1957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1819 2.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9788 2.5656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1924 1.7687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5622 3.1489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2957 -0.7089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6114 0.0533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4364 0.0533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8489 0.7678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6739 0.7678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0864 0.0533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0864 1.4822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2957 0.8155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8790 1.3989 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8790 -1.2923 0.0000 O 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 3 5 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 8 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 12 13 1 0 0 0 0 12 14 1 0 0 0 0 9 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 16 22 1 0 0 0 0 7 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 9 29 1 0 0 0 0 29 30 2 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 2 0 0 0 0 33 34 1 0 0 0 0 33 35 1 0 0 0 0 30 36 1 0 0 0 0 7 36 1 0 0 0 0 36 37 2 0 0 0 0 29 38 1 0 0 0 0 M END > NP0327899 > NP-MRD > CCC(C)C(=O)C12CC(CC=C(C)C)(CC(CC=C(C)C)C1CCC=C(C)C)C(O)=C(CC=C(C)C)C2=O > InChI=1S/C35H54O3/c1-11-27(10)31(36)35-22-34(20-19-26(8)9,32(37)29(33(35)38)18-16-25(6)7)21-28(17-15-24(4)5)30(35)14-12-13-23(2)3/h13,15-16,19,27-28,30,37H,11-12,14,17-18,20-22H2,1-10H3 > RIISSLSXWPTKFE-UHFFFAOYSA-N > C35H54O3 > 522.814 > 522.407295599 > 3 > 92 > 64.25854089955877 > 0 > 1 > 0 > 0 > 4-hydroxy-3,5,7-tris(3-methylbut-2-en-1-yl)-1-(2-methylbutanoyl)-8-(4-methylpent-3-en-1-yl)bicyclo[3.3.1]non-3-en-2-one > 7.09 > 9.966229113333336 > -5.82 > 0 > 2 > -1 > 5.8607440933085355 > -6.516536737177427 > 54.370000000000005 > 166.06340000000003 > 12 > 0 > 7.98e-04 g/l > 4-hydroxy-3,5,7-tris(3-methylbut-2-en-1-yl)-1-(2-methylbutanoyl)-8-(4-methylpent-3-en-1-yl)bicyclo[3.3.1]non-3-en-2-one > 0 > NP0327899 > 4-hydroxy-3,5,7-tris(3-methylbut-2-en-1-yl)-1-(2-methylbutanoyl)-8-(4-methylpent-3-en-1-yl)bicyclo[3.3.1]non-3-en-2-one $$$$