445354 DSViewer 3D 0 51 51 0 0 0 0 0 0 0 0999 V2000 9.9485 6.8680 0.0106 O 0 0 0 0 0 0 0 0 0 1 2.4383 -4.2448 -0.1142 C 0 0 0 0 0 0 0 0 0 2 2.3597 -5.6789 -0.6499 C 0 0 0 0 0 0 0 0 0 3 3.2310 -6.5293 0.2384 C 0 0 0 0 0 0 0 0 0 4 3.8764 -3.7270 -0.0319 C 0 0 0 0 0 0 0 0 0 5 4.6858 -6.1304 -0.0195 C 0 0 0 0 0 0 0 0 0 6 4.9201 -4.6195 0.0152 C 0 0 0 0 0 0 0 0 0 7 1.8428 -4.2065 1.3154 C 0 0 0 0 0 0 0 0 0 8 1.5824 -3.2889 -0.9687 C 0 0 0 0 0 0 0 0 0 9 3.9837 -2.1901 -0.0164 C 0 0 0 0 0 0 0 0 0 10 6.3825 -4.2265 0.0841 C 0 0 0 0 0 0 0 0 0 11 5.0927 -1.4467 0.0249 C 0 0 0 0 0 0 0 0 0 12 5.0403 0.0149 0.0210 C 0 0 0 0 0 0 0 0 0 13 3.7164 0.7309 -0.0157 C 0 0 0 0 0 0 0 0 0 14 6.1828 0.7010 0.0399 C 0 0 0 0 0 0 0 0 0 15 6.1897 2.1631 0.0261 C 0 0 0 0 0 0 0 0 0 16 7.3509 2.8158 0.0319 C 0 0 0 0 0 0 0 0 0 17 7.3756 4.2793 0.0123 C 0 0 0 0 0 0 0 0 0 18 6.0827 5.0504 -0.0171 C 0 0 0 0 0 0 0 0 0 19 8.5441 4.9222 0.0188 C 0 0 0 0 0 0 0 0 0 20 8.5894 6.4267 -0.0025 C 0 0 0 0 0 0 0 0 0 21 1.3301 -6.0352 -0.6161 H 0 0 0 0 0 0 0 0 0 22 2.7238 -5.7153 -1.6767 H 0 0 0 0 0 0 0 0 0 23 2.9778 -6.3544 1.2841 H 0 0 0 0 0 0 0 0 0 24 3.0872 -7.5833 0.0006 H 0 0 0 0 0 0 0 0 0 25 5.3109 -6.5938 0.7438 H 0 0 0 0 0 0 0 0 0 26 4.9761 -6.5018 -1.0023 H 0 0 0 0 0 0 0 0 0 27 1.8948 -3.1896 1.7041 H 0 0 0 0 0 0 0 0 0 28 2.4116 -4.8725 1.9644 H 0 0 0 0 0 0 0 0 0 29 0.8025 -4.5305 1.2851 H 0 0 0 0 0 0 0 0 0 30 1.6554 -2.2781 -0.5675 H 0 0 0 0 0 0 0 0 0 31 0.5421 -3.6137 -0.9465 H 0 0 0 0 0 0 0 0 0 32 1.9436 -3.2980 -1.9971 H 0 0 0 0 0 0 0 0 0 33 3.0410 -1.6435 -0.0422 H 0 0 0 0 0 0 0 0 0 34 6.9997 -5.1244 0.1113 H 0 0 0 0 0 0 0 0 0 35 6.5589 -3.6375 0.9842 H 0 0 0 0 0 0 0 0 0 36 6.6418 -3.6345 -0.7937 H 0 0 0 0 0 0 0 0 0 37 6.0626 -1.9426 0.0626 H 0 0 0 0 0 0 0 0 0 38 3.8850 1.8077 -0.0131 H 0 0 0 0 0 0 0 0 0 39 3.1284 0.4535 0.8592 H 0 0 0 0 0 0 0 0 0 40 3.1761 0.4505 -0.9199 H 0 0 0 0 0 0 0 0 0 41 7.1298 0.1620 0.0663 H 0 0 0 0 0 0 0 0 0 42 5.2502 2.7157 0.0111 H 0 0 0 0 0 0 0 0 0 43 8.2869 2.2576 0.0514 H 0 0 0 0 0 0 0 0 0 44 6.2967 6.1191 -0.0285 H 0 0 0 0 0 0 0 0 0 45 5.4941 4.8077 0.8677 H 0 0 0 0 0 0 0 0 0 46 5.5201 4.7835 -0.9117 H 0 0 0 0 0 0 0 0 0 47 9.4738 4.3536 0.0396 H 0 0 0 0 0 0 0 0 0 48 8.0734 6.8169 0.8748 H 0 0 0 0 0 0 0 0 0 49 8.0989 6.7910 -0.9051 H 0 0 0 0 0 0 0 0 0 50 9.9735 7.8579 -0.0034 H 0 0 0 0 0 0 0 0 0 51 1 21 1 0 0 0 1 51 1 0 0 0 2 3 1 0 0 0 2 5 1 0 0 0 2 8 1 0 0 0 2 9 1 0 0 0 3 4 1 0 0 0 3 22 1 0 0 0 3 23 1 0 0 0 4 6 1 0 0 0 4 24 1 0 0 0 4 25 1 0 0 0 5 7 2 0 0 0 5 10 1 0 0 0 6 7 1 0 0 0 6 26 1 0 0 0 6 27 1 0 0 0 7 11 1 0 0 0 8 28 1 0 0 0 8 29 1 0 0 0 8 30 1 0 0 0 9 31 1 0 0 0 9 32 1 0 0 0 9 33 1 0 0 0 10 12 2 0 0 0 10 34 1 0 0 0 11 35 1 0 0 0 11 36 1 0 0 0 11 37 1 0 0 0 12 13 1 0 0 0 12 38 1 0 0 0 13 14 1 0 0 0 13 15 2 0 0 0 14 39 1 0 0 0 14 40 1 0 0 0 14 41 1 0 0 0 15 16 1 0 0 0 15 42 1 0 0 0 16 17 2 0 0 0 16 43 1 0 0 0 17 18 1 0 0 0 17 44 1 0 0 0 18 19 1 0 0 0 18 20 2 0 0 0 19 45 1 0 0 0 19 46 1 0 0 0 19 47 1 0 0 0 20 21 1 0 0 0 20 48 1 0 0 0 21 49 1 0 0 0 21 50 1 0 0 0 M END > 445354 > 1 > 496 > 1 > 1 > 5 > AAADceB4IAAAAAAAAAAAAAAAAAAAAAAAAAAgAAAAAAAAAAAAAAAAGgAACAAADgCggAICAAAAAgCAAiBCAAAAAAAgAAAICAAAAAgIFAIAAQAAEAAAgAAIkAMAgMAPAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-ol > (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)-1-nona-2,4,6,8-tetraenol > (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-ol > (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-ol > (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-ol > InChI=1S/C20H30O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,21H,7,10,14-15H2,1-5H3/b9-6+,12-11+,16-8+,17-13+ > FPIPGXGPPPQFEQ-OVSJKPMPSA-N > 5.7 > 286.23 > C20H30O > 286.452 > CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CCO)C)C > CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/CO)/C)/C > 20.2 > 286.23 > 0 > 21 > 0 > 0 > 4 > 0 > 0 > 1 > 1 > 1 5 255 $$$$