Mrv1652309122216212D 45 50 0 0 1 0 999 V2000 -0.1105 -5.9664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3020 -5.2520 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.1105 -4.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9355 -4.5375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3020 -3.8230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1270 -3.8230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5395 -4.5375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3645 -4.5375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.9520 -3.8230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7770 -3.8230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6020 -3.8230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0145 -4.5375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.4270 -3.8230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0145 -3.1086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4270 -2.3941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2520 -2.3941 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0145 -1.6796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1895 -1.6796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7770 -0.9651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9520 -0.9651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5395 -0.2507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9520 0.4638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5395 1.1783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7770 0.4638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1895 -0.2507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8395 -4.5375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2520 -3.8230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0770 -3.8230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9337 -3.0106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8522 -3.5409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4895 -4.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0770 -5.2520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2520 -5.2520 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6645 -5.9664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2520 -6.6809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4895 -5.9664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8395 -5.9664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0145 -5.9664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6020 -5.2520 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1895 -5.9664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7770 -5.2520 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3645 -5.9664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5395 -5.9664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1270 -5.2520 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7145 -5.9664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 1 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 7 6 1 1 0 0 0 7 8 1 0 0 0 0 8 9 1 1 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 6 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 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 24 25 2 0 0 0 0 19 25 1 0 0 0 0 12 26 1 0 0 0 0 26 27 1 6 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 28 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 26 33 1 0 0 0 0 33 34 1 1 0 0 0 34 35 2 0 0 0 0 34 36 1 0 0 0 0 33 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 12 39 1 0 0 0 0 39 40 1 1 0 0 0 39 41 1 0 0 0 0 8 41 1 0 0 0 0 41 42 1 1 0 0 0 42 43 1 0 0 0 0 43 44 1 0 0 0 0 7 44 1 0 0 0 0 2 44 1 0 0 0 0 44 45 1 1 0 0 0 M END > NP0329714 > NP-MRD > C[C@H]1C(=O)CC[C@@H]2[C@]1(C)CC[C@H]1[C@@]2(C)CC[C@@]2(COC(=O)\C=C\C3=CC=C(O)C=C3)[C@@H]3CC(C)(C)CC[C@@]3(CC[C@]12C)C(O)=O > InChI=1S/C39H54O6/c1-25-28(41)12-13-29-35(25,4)16-15-30-36(29,5)18-22-39(24-45-32(42)14-9-26-7-10-27(40)11-8-26)31-23-34(2,3)17-20-38(31,33(43)44)21-19-37(30,39)6/h7-11,14,25,29-31,40H,12-13,15-24H2,1-6H3,(H,43,44)/b14-9+/t25-,29+,30-,31+,35+,36-,37+,38-,39+/m0/s1 > DHSYPAJVSWZVRL-HYPDWGSHSA-N > C39H54O6 > 618.855 > 618.392039459 > 5 > 99 > 71.05036798711944 > 0 > 2 > 0 > 0 > (4aS,6aR,6bS,8aS,9R,12aS,12bS,14aR,14bS)-14a-({[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}methyl)-2,2,6a,8a,9,12b-hexamethyl-10-oxo-docosahydropicene-4a-carboxylic acid > 8.757527677999999 > 1 > 6 > -1 > 9.398662540117071 > 4.455996787933483 > -5.954731027865166 > 100.90000000000002 > 175.24960000000004 > 6 > 0 > (4aS,6aR,6bS,8aS,9R,12aS,12bS,14aR,14bS)-14a-({[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}methyl)-2,2,6a,8a,9,12b-hexamethyl-10-oxo-tetradecahydro-1H-picene-4a-carboxylic acid > 0 > NP0329714 > (4as,6ar,6bs,8as,9r,12as,12bs,14ar,14bs)-14a-({[(2e)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}methyl)-2,2,6a,8a,9,12b-hexamethyl-10-oxo-tetradecahydro-1h-picene-4a-carboxylic acid $$$$