Mrv1652309122212562D 44 46 0 0 1 0 999 V2000 -4.9956 -2.6285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5831 -1.9141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9956 -1.1996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7581 -1.9141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3456 -1.1996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5206 -1.1996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1081 -0.4851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5206 0.2293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2831 -0.4851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8706 0.2293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0456 0.2293 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.2701 -0.5329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0323 -0.8486 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.0323 -1.6736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3178 -2.0861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3178 -2.9111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3966 -3.3236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0323 -3.3236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7945 -0.5329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3779 -1.1162 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1102 0.2293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9352 0.2293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3477 -0.4851 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3477 0.9438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9352 1.6583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3477 2.3727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1727 2.3727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5852 3.0872 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5852 1.6583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4102 1.6583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1727 0.9438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7945 0.9915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3779 1.5749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0323 1.3072 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.0323 2.1322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7468 2.5447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7468 3.3697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4612 3.7822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0323 3.7822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7628 0.2293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0954 0.7143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2701 0.9915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0049 1.7728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5111 1.2567 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 2 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 9 2 0 0 0 0 9 10 1 0 0 0 0 11 10 1 1 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 1 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 13 19 1 0 0 0 0 19 20 2 0 0 0 0 19 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 24 25 2 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 29 30 1 0 0 0 0 29 31 2 0 0 0 0 24 31 1 0 0 0 0 21 32 1 0 0 0 0 32 33 2 0 0 0 0 32 34 1 0 0 0 0 34 35 1 1 0 0 0 35 36 1 0 0 0 0 36 37 2 0 0 0 0 37 38 1 0 0 0 0 37 39 1 0 0 0 0 34 40 1 0 0 0 0 13 40 1 0 0 0 0 40 41 2 0 0 0 0 34 42 1 0 0 0 0 11 42 1 0 0 0 0 42 43 1 0 0 0 0 42 44 1 0 0 0 0 M END > NP0327928 > NP-MRD > CC(C)=CCC\C(C)=C\C[C@@H]1C[C@@]2(CC=C(C)C)C(=O)\C(=C(/O)C3=CC=C(O)C(O)=C3)C(=O)[C@](CC=C(C)C)(C2=O)C1(C)C > InChI=1S/C38H50O6/c1-23(2)11-10-12-26(7)13-15-28-22-37(19-17-24(3)4)33(42)31(32(41)27-14-16-29(39)30(40)21-27)34(43)38(35(37)44,36(28,8)9)20-18-25(5)6/h11,13-14,16-18,21,28,39-41H,10,12,15,19-20,22H2,1-9H3/b26-13+,32-31+/t28-,37+,38-/m1/s1 > CVCIGXIQAYQNTE-KQQVVUIOSA-N > C38H50O6 > 602.812 > 602.36073933 > 6 > 94 > 68.07308147456828 > 0 > 3 > 0 > 0 > (1R,3E,5S,7R)-3-[(3,4-dihydroxyphenyl)(hydroxy)methylidene]-7-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-6,6-dimethyl-1,5-bis(3-methylbut-2-en-1-yl)bicyclo[3.3.1]nonane-2,4,9-trione > 9.717411320999997 > 1 > 3 > -1 > 8.511599937797884 > 5.963370406209999 > -6.3193251968240185 > 111.9 > 181.6156 > 10 > 0 > (1R,3E,5S,7R)-3-[(3,4-dihydroxyphenyl)(hydroxy)methylidene]-7-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-6,6-dimethyl-1,5-bis(3-methylbut-2-en-1-yl)bicyclo[3.3.1]nonane-2,4,9-trione > 0 > NP0327928 > (1r,3e,5s,7r)-3-[(3,4-dihydroxyphenyl)(hydroxy)methylidene]-7-[(2e)-3,7-dimethylocta-2,6-dien-1-yl]-6,6-dimethyl-1,5-bis(3-methylbut-2-en-1-yl)bicyclo[3.3.1]nonane-2,4,9-trione $$$$