Mrv1652309122217132D 38 40 0 0 1 0 999 V2000 -0.8511 1.1023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0542 1.3159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5291 0.7325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2134 -0.0297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6116 -0.0297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0241 -0.7442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8491 -0.7442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2616 -1.4586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2616 -0.0297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5291 -0.7919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0542 -1.3753 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2913 -1.1076 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.2913 -1.9326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0058 -2.3451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0058 -3.1701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2913 -3.5826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7203 -3.5826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0535 -0.7919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3692 -0.0297 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1942 -0.0297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6067 -0.7442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1942 -1.4586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6067 -2.1731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3692 -1.4586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0535 0.7325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1612 1.5504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8715 0.8402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2913 1.0482 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.2913 1.8732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0058 2.2857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5769 2.2857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1376 1.8732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8521 2.2857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8521 3.1107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1376 3.5232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5769 3.1107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0219 -0.0297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3544 0.4552 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 2 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 4 10 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 6 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 12 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 6 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 19 25 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 25 28 1 0 0 0 0 3 28 1 0 0 0 0 28 29 1 6 0 0 0 29 30 2 0 0 0 0 29 31 1 0 0 0 0 31 32 2 0 0 0 0 32 33 1 0 0 0 0 33 34 2 0 0 0 0 34 35 1 0 0 0 0 35 36 2 0 0 0 0 31 36 1 0 0 0 0 28 37 1 0 0 0 0 12 37 1 0 0 0 0 37 38 2 0 0 0 0 M END > NP0330150 > NP-MRD > COC1=C(CC=C(C)C)C(=O)[C@]2(CC=C(C)C)C[C@@H](CC=C(C)C)C(C)(C)[C@@]1(C(=O)C1=CC=CC=C1)C2=O > InChI=1S/C34H44O4/c1-22(2)15-17-26-21-33(20-19-24(5)6)29(36)27(18-16-23(3)4)30(38-9)34(31(33)37,32(26,7)8)28(35)25-13-11-10-12-14-25/h10-16,19,26H,17-18,20-21H2,1-9H3/t26-,33+,34-/m1/s1 > LBVVKIWFWVZYOX-VCXVHRGASA-N > C34H44O4 > 516.722 > 516.323959897 > 4 > 82 > 59.04034096110267 > 0 > 0 > 0 > 0 > (1S,5R,7R)-5-benzoyl-4-methoxy-6,6-dimethyl-1,3,7-tris(3-methylbut-2-en-1-yl)bicyclo[3.3.1]non-3-ene-2,9-dione > 8.300563086333336 > 1 > 3 > 0 > -4.821493653053849 > 60.440000000000005 > 158.6956999999999 > 9 > 0 > (1S,5R,7R)-5-benzoyl-4-methoxy-6,6-dimethyl-1,3,7-tris(3-methylbut-2-en-1-yl)bicyclo[3.3.1]non-3-ene-2,9-dione > 0 > NP0330150 > (1s,5r,7r)-5-benzoyl-4-methoxy-6,6-dimethyl-1,3,7-tris(3-methylbut-2-en-1-yl)bicyclo[3.3.1]non-3-ene-2,9-dione $$$$