20849386 -OEChem-04262409112D 98 98 0 0 0 0 0 0 0999 V2000 15.6323 9.9750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8162 9.9750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4362 1.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6200 1.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4362 0.9749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6200 0.9749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3022 0.4749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4860 0.4749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3022 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4860 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1682 0.9749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3520 0.9749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1682 1.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3520 1.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4362 1.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9362 2.8410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6200 1.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1200 2.8410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3022 3.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4860 3.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0342 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2181 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1682 3.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3520 3.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1682 4.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3520 4.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3022 5.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4860 5.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0342 5.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2181 5.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0342 6.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2181 6.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9003 6.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0841 6.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9003 7.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0841 7.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0342 8.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2181 8.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7663 8.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9501 8.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7663 9.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9501 9.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8256 1.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2241 0.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0094 1.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4080 0.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9036 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7007 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0875 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8846 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3803 0.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7788 1.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5641 0.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9626 1.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4362 2.5950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8162 1.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4362 1.3550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4731 3.1510 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6262 3.3779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3992 2.5310 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6200 2.5950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6200 1.3550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6569 3.1510 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8100 3.3779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5831 2.5310 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7652 3.7850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9491 3.7850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3442 1.9380 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5712 2.7849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7242 3.0119 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5281 1.9380 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7550 2.7849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9081 3.0119 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7051 3.6650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8890 3.6650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6122 6.0119 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7652 5.7850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9922 4.9380 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7960 6.0119 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9491 5.7850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1760 4.9380 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5712 5.1650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7550 5.1650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4973 6.7850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6811 6.7850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4372 6.6650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6210 6.6650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3442 9.0119 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4973 8.7850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7242 7.9380 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5281 9.0119 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6811 8.7850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9081 7.9380 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3032 8.1649 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4871 8.1649 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2293 9.7850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4132 9.7850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 41 2 0 0 0 0 2 42 2 0 0 0 0 3 5 1 0 0 0 0 3 9 1 0 0 0 0 3 15 1 0 0 0 0 3 16 1 0 0 0 0 4 6 1 0 0 0 0 4 10 1 0 0 0 0 4 17 1 0 0 0 0 4 18 1 0 0 0 0 5 7 1 0 0 0 0 5 43 1 0 0 0 0 5 44 1 0 0 0 0 6 8 1 0 0 0 0 6 45 1 0 0 0 0 6 46 1 0 0 0 0 7 11 1 0 0 0 0 7 47 1 0 0 0 0 7 48 1 0 0 0 0 8 12 1 0 0 0 0 8 49 1 0 0 0 0 8 50 1 0 0 0 0 9 13 2 0 0 0 0 9 19 1 0 0 0 0 10 14 2 0 0 0 0 10 20 1 0 0 0 0 11 13 1 0 0 0 0 11 51 1 0 0 0 0 11 52 1 0 0 0 0 12 14 1 0 0 0 0 12 53 1 0 0 0 0 12 54 1 0 0 0 0 13 21 1 0 0 0 0 14 22 1 0 0 0 0 15 55 1 0 0 0 0 15 56 1 0 0 0 0 15 57 1 0 0 0 0 16 58 1 0 0 0 0 16 59 1 0 0 0 0 16 60 1 0 0 0 0 17 61 1 0 0 0 0 17 62 1 0 0 0 0 17 63 1 0 0 0 0 18 64 1 0 0 0 0 18 65 1 0 0 0 0 18 66 1 0 0 0 0 19 23 2 0 0 0 0 19 67 1 0 0 0 0 20 24 2 0 0 0 0 20 68 1 0 0 0 0 21 69 1 0 0 0 0 21 70 1 0 0 0 0 21 71 1 0 0 0 0 22 72 1 0 0 0 0 22 73 1 0 0 0 0 22 74 1 0 0 0 0 23 25 1 0 0 0 0 23 75 1 0 0 0 0 24 26 1 0 0 0 0 24 76 1 0 0 0 0 25 27 1 0 0 0 0 25 29 2 0 0 0 0 26 28 1 0 0 0 0 26 30 2 0 0 0 0 27 77 1 0 0 0 0 27 78 1 0 0 0 0 27 79 1 0 0 0 0 28 80 1 0 0 0 0 28 81 1 0 0 0 0 28 82 1 0 0 0 0 29 31 1 0 0 0 0 29 83 1 0 0 0 0 30 32 1 0 0 0 0 30 84 1 0 0 0 0 31 33 2 0 0 0 0 31 85 1 0 0 0 0 32 34 2 0 0 0 0 32 86 1 0 0 0 0 33 35 1 0 0 0 0 33 87 1 0 0 0 0 34 36 1 0 0 0 0 34 88 1 0 0 0 0 35 37 1 0 0 0 0 35 39 2 0 0 0 0 36 38 1 0 0 0 0 36 40 2 0 0 0 0 37 89 1 0 0 0 0 37 90 1 0 0 0 0 37 91 1 0 0 0 0 38 92 1 0 0 0 0 38 93 1 0 0 0 0 38 94 1 0 0 0 0 39 41 1 0 0 0 0 39 95 1 0 0 0 0 40 42 1 0 0 0 0 40 96 1 0 0 0 0 41 97 1 0 0 0 0 42 98 1 0 0 0 0 M END > 20849386 > 1 > 522 > 2 > 0 > 10 > AAADcfB8MAAAAAAAAAAAAAAAAAAAAAAAAAAgQAAAAAAAAAAAAAAAGgAAAAAADgCggAICAAAAAACIAihSgAAAAAAgAAAICAAAAEgIAAIAAQAAAAAAgAAIgQMAgMAPAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenal > (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenal > (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenal > (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenal > (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenal > (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenal > InChI=1S/2C20H28O/c2*1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h2*6,8-9,11-13,15H,7,10,14H2,1-5H3/b2*9-6+,12-11+,16-8+,17-13+ > YYTPRCIUPRVEKU-VICNBPOCSA-N > 568.42803102 > C40H56O2 > 568.9 > CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC=O)C)C.CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC=O)C)C > CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C=O)/C)/C.CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C=O)/C)/C > 34.1 > 568.42803102 > 0 > 42 > 0 > 0 > 8 > 0 > 0 > 2 > -1 > 1 5 255 $$$$