60210728 -OEChem-04162401492D 97 98 0 0 0 0 0 0 0999 V2000 13.3923 9.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 -9.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1962 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3923 6.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -8.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2583 7.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -9.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5263 7.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 -7.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2583 8.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 -9.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8923 5.8840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8923 5.8840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -8.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 -7.3840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5263 8.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 -8.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3923 8.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 -9.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6603 6.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 -6.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6603 8.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 -7.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6603 5.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 -6.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7942 5.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 -5.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9282 5.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 -4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7942 4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 -4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9282 3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 -3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9282 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4641 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0622 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4641 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0622 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3301 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1962 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1962 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3301 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4704 6.6674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8689 7.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3894 -9.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7880 -9.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8689 8.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4704 8.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4675 -10.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2646 -10.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3554 5.5740 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2023 5.3470 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4292 6.1940 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3554 6.1940 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5823 5.3470 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4292 5.5740 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -7.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 -8.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -8.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0369 -7.0740 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1900 -6.8470 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9631 -7.6940 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1233 7.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3291 -6.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9703 9.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1233 9.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3503 8.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9081 -8.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1350 -7.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2881 -7.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1972 5.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2690 -6.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2382 6.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3913 6.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6182 5.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1760 -4.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3291 -4.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5560 -5.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3312 3.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1350 -5.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3913 4.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0611 -3.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4651 2.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0010 -3.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5991 0.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8671 -2.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5062 3.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6592 3.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8862 2.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9081 -1.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0611 -1.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2881 -2.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9841 1.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5856 0.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1181 -0.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7196 -0.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 2 0 0 0 0 2 19 2 0 0 0 0 3 42 1 0 0 0 0 3 43 1 0 0 0 0 4 6 1 0 0 0 0 4 8 1 0 0 0 0 4 12 1 0 0 0 0 4 13 1 0 0 0 0 5 7 1 0 0 0 0 5 9 1 0 0 0 0 5 14 1 0 0 0 0 5 15 1 0 0 0 0 6 10 1 0 0 0 0 6 44 1 0 0 0 0 6 45 1 0 0 0 0 7 11 1 0 0 0 0 7 46 1 0 0 0 0 7 47 1 0 0 0 0 8 16 2 0 0 0 0 8 20 1 0 0 0 0 9 17 2 0 0 0 0 9 21 1 0 0 0 0 10 18 1 0 0 0 0 10 48 1 0 0 0 0 10 49 1 0 0 0 0 11 19 1 0 0 0 0 11 50 1 0 0 0 0 11 51 1 0 0 0 0 12 52 1 0 0 0 0 12 53 1 0 0 0 0 12 54 1 0 0 0 0 13 55 1 0 0 0 0 13 56 1 0 0 0 0 13 57 1 0 0 0 0 14 58 1 0 0 0 0 14 59 1 0 0 0 0 14 60 1 0 0 0 0 15 61 1 0 0 0 0 15 62 1 0 0 0 0 15 63 1 0 0 0 0 16 18 1 0 0 0 0 16 22 1 0 0 0 0 17 19 1 0 0 0 0 17 23 1 0 0 0 0 20 24 2 0 0 0 0 20 64 1 0 0 0 0 21 25 2 0 0 0 0 21 65 1 0 0 0 0 22 66 1 0 0 0 0 22 67 1 0 0 0 0 22 68 1 0 0 0 0 23 69 1 0 0 0 0 23 70 1 0 0 0 0 23 71 1 0 0 0 0 24 26 1 0 0 0 0 24 72 1 0 0 0 0 25 27 1 0 0 0 0 25 73 1 0 0 0 0 26 28 1 0 0 0 0 26 30 2 0 0 0 0 27 29 1 0 0 0 0 27 31 2 0 0 0 0 28 74 1 0 0 0 0 28 75 1 0 0 0 0 28 76 1 0 0 0 0 29 77 1 0 0 0 0 29 78 1 0 0 0 0 29 79 1 0 0 0 0 30 32 1 0 0 0 0 30 80 1 0 0 0 0 31 33 1 0 0 0 0 31 81 1 0 0 0 0 32 34 2 0 0 0 0 32 82 1 0 0 0 0 33 35 2 0 0 0 0 33 83 1 0 0 0 0 34 36 1 0 0 0 0 34 84 1 0 0 0 0 35 37 1 0 0 0 0 35 85 1 0 0 0 0 36 38 2 0 0 0 0 36 40 1 0 0 0 0 37 39 2 0 0 0 0 37 41 1 0 0 0 0 38 42 1 0 0 0 0 38 86 1 0 0 0 0 39 43 1 0 0 0 0 39 87 1 0 0 0 0 40 88 1 0 0 0 0 40 89 1 0 0 0 0 40 90 1 0 0 0 0 41 91 1 0 0 0 0 41 92 1 0 0 0 0 41 93 1 0 0 0 0 42 94 1 0 0 0 0 42 95 1 0 0 0 0 43 96 1 0 0 0 0 43 97 1 0 0 0 0 M END > 60210728 > 1 > 1250 > 3 > 0 > 12 > AAADcfB8MAAAAAAAAAAAAAAAAAAAAAAAAAAgQAAAAAAAAAAAAAAAGgAAAAAADgSggAICAAAABACIAqBSAAAAAAAgAAAICAEAAEgIBBIAIQACEAAAgAAIoQMIiMAPAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > 3-[(1E,3E,5E,7E)-9-[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethyl-3-oxo-cyclohexen-1-yl)nona-2,4,6,8-tetraenoxy]-3,7-dimethyl-nona-1,3,5,7-tetraenyl]-2,4,4-trimethyl-cyclohex-2-en-1-one > 3-[(1E,3E,5E,7E)-9-[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethyl-3-oxo-1-cyclohexenyl)nona-2,4,6,8-tetraenoxy]-3,7-dimethylnona-1,3,5,7-tetraenyl]-2,4,4-trimethyl-1-cyclohex-2-enone > 3-[(1E,3E,5E,7E)-9-[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethyl-3-oxocyclohexen-1-yl)nona-2,4,6,8-tetraenoxy]-3,7-dimethylnona-1,3,5,7-tetraenyl]-2,4,4-trimethylcyclohex-2-en-1-one > 3-[(1E,3E,5E,7E)-9-[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethyl-3-oxocyclohexen-1-yl)nona-2,4,6,8-tetraenoxy]-3,7-dimethylnona-1,3,5,7-tetraenyl]-2,4,4-trimethylcyclohex-2-en-1-one > 3-[(1E,3E,5E,7E)-9-[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethyl-3-oxidanylidene-cyclohexen-1-yl)nona-2,4,6,8-tetraenoxy]-3,7-dimethyl-nona-1,3,5,7-tetraenyl]-2,4,4-trimethyl-cyclohex-2-en-1-one > 3-[(1E,3E,5E,7E)-9-[(2E,4E,6E,8E)-9-(3-keto-2,6,6-trimethyl-cyclohexen-1-yl)-3,7-dimethyl-nona-2,4,6,8-tetraenoxy]-3,7-dimethyl-nona-1,3,5,7-tetraenyl]-2,4,4-trimethyl-cyclohex-2-en-1-one > InChI=1S/C40H54O3/c1-29(17-19-35-33(5)37(41)21-25-39(35,7)8)13-11-15-31(3)23-27-43-28-24-32(4)16-12-14-30(2)18-20-36-34(6)38(42)22-26-40(36,9)10/h11-20,23-24H,21-22,25-28H2,1-10H3/b15-11+,16-12+,19-17+,20-18+,29-13+,30-14+,31-23+,32-24+ > TYSGZMLWBKXAII-AYIMODKESA-N > 10.3 > 582.40729558 > C40H54O3 > 582.9 > CC1=C(C(CCC1=O)(C)C)C=CC(=CC=CC(=CCOCC=C(C)C=CC=C(C)C=CC2=C(C(=O)CCC2(C)C)C)C)C > CC1=C(C(CCC1=O)(C)C)/C=C/C(=C/C=C/C(=C/COC/C=C(/C=C/C=C(/C=C/C2=C(C(=O)CCC2(C)C)C)\C)\C)/C)/C > 43.4 > 582.40729558 > 0 > 43 > 0 > 0 > 8 > 0 > 0 > 1 > -1 > 1 5 255 $$$$