11297083 -OEChem-05062402402D 132133 0 1 0 0 0 0 0999 V2000 4.0290 14.1881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 16.2228 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1956 9.9750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9350 14.7020 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9350 14.6981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9350 15.7436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4384 15.5622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4383 15.5584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9417 16.4225 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.0290 16.2575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4317 13.8340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 15.7228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9417 16.4186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 14.7228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9994 1.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4450 17.2827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4450 17.2788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9483 18.1429 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9994 0.9749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4450 17.2904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 16.2228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 14.2228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8654 0.4749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8654 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9483 18.1391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7315 0.9749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7315 1.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 14.7228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9994 1.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4994 2.8410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 15.7228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4517 19.0032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4517 19.0109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 17.2228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 13.2228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4516 18.9993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8654 3.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5975 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 14.2228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9550 19.8634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7315 3.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9550 19.8596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4583 20.7314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7315 4.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8654 5.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5975 5.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5975 6.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4635 6.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4635 7.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5975 8.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3295 8.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3295 9.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8250 14.0880 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5168 14.4838 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5459 15.6375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1441 16.3273 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5484 16.1724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8566 15.7765 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3283 14.9482 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0201 15.3441 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3217 16.4249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4226 16.7365 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6244 16.7273 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8936 13.5261 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7396 13.2959 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9698 14.1420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8316 15.8084 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5234 16.2043 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5550 17.8929 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8632 17.4970 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3350 16.6687 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0268 17.0645 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2604 18.6787 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3888 1.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7874 0.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9831 17.5983 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1371 17.8285 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9069 16.9825 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4669 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2640 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8383 17.5289 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5301 17.9248 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9435 0.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3420 1.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9994 2.5950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3794 1.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9994 1.3550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0363 3.1510 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1894 3.3779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9625 2.5310 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5617 19.6133 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8699 19.2175 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9898 19.3188 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1437 19.5490 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9135 18.7030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8890 17.2228 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 17.8428 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6490 17.2228 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6490 13.2228 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 12.6028 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8890 13.2228 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3416 18.3892 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0334 18.7850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3285 3.7850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9075 1.9380 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1344 2.7849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2875 3.0119 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3350 19.8658 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2269 14.7597 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 13.9128 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8469 13.6859 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 15.9128 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2684 3.6650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9526 19.2396 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5750 19.8572 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9574 20.4796 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9964 21.0393 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1504 21.2695 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9202 20.4234 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1754 6.0119 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3285 5.7850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5554 4.9380 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1344 5.1650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0605 6.7850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0004 6.6650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9075 9.0119 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0605 8.7850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2875 7.9380 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8665 8.1649 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1175 10.0576 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7190 9.3673 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1956 10.5949 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 14 1 0 0 0 0 2 31 1 0 0 0 0 2112 1 0 0 0 0 3 52 1 0 0 0 0 3132 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 11 1 6 0 0 0 5 7 1 0 0 0 0 5 53 1 0 0 0 0 5 54 1 0 0 0 0 6 10 1 0 0 0 0 6 55 1 0 0 0 0 6 56 1 0 0 0 0 7 8 1 0 0 0 0 7 57 1 0 0 0 0 7 58 1 0 0 0 0 8 9 1 0 0 0 0 8 59 1 0 0 0 0 8 60 1 0 0 0 0 9 13 1 0 0 0 0 9 20 1 6 0 0 0 9 61 1 0 0 0 0 10 12 1 0 0 0 0 10 62 1 0 0 0 0 10 63 1 0 0 0 0 11 64 1 0 0 0 0 11 65 1 0 0 0 0 11 66 1 0 0 0 0 12 14 2 0 0 0 0 12 21 1 0 0 0 0 13 16 1 0 0 0 0 13 67 1 0 0 0 0 13 68 1 0 0 0 0 14 22 1 0 0 0 0 15 19 1 0 0 0 0 15 24 1 0 0 0 0 15 29 1 0 0 0 0 15 30 1 0 0 0 0 16 17 1 0 0 0 0 16 69 1 0 0 0 0 16 70 1 0 0 0 0 17 18 1 0 0 0 0 17 71 1 0 0 0 0 17 72 1 0 0 0 0 18 25 1 0 0 0 0 18 33 1 6 0 0 0 18 73 1 0 0 0 0 19 23 1 0 0 0 0 19 74 1 0 0 0 0 19 75 1 0 0 0 0 20 76 1 0 0 0 0 20 77 1 0 0 0 0 20 78 1 0 0 0 0 21 31 2 0 0 0 0 21 34 1 0 0 0 0 22 28 2 0 0 0 0 22 35 1 0 0 0 0 23 26 1 0 0 0 0 23 79 1 0 0 0 0 23 80 1 0 0 0 0 24 27 2 0 0 0 0 24 37 1 0 0 0 0 25 32 1 0 0 0 0 25 81 1 0 0 0 0 25 82 1 0 0 0 0 26 27 1 0 0 0 0 26 83 1 0 0 0 0 26 84 1 0 0 0 0 27 38 1 0 0 0 0 28 31 1 0 0 0 0 28 39 1 0 0 0 0 29 85 1 0 0 0 0 29 86 1 0 0 0 0 29 87 1 0 0 0 0 30 88 1 0 0 0 0 30 89 1 0 0 0 0 30 90 1 0 0 0 0 32 36 1 0 0 0 0 32 91 1 0 0 0 0 32 92 1 0 0 0 0 33 93 1 0 0 0 0 33 94 1 0 0 0 0 33 95 1 0 0 0 0 34 96 1 0 0 0 0 34 97 1 0 0 0 0 34 98 1 0 0 0 0 35 99 1 0 0 0 0 35100 1 0 0 0 0 35101 1 0 0 0 0 36 40 1 0 0 0 0 36102 1 0 0 0 0 36103 1 0 0 0 0 37 41 2 0 0 0 0 37104 1 0 0 0 0 38105 1 0 0 0 0 38106 1 0 0 0 0 38107 1 0 0 0 0 39109 1 0 0 0 0 39110 1 0 0 0 0 39111 1 0 0 0 0 40 42 1 0 0 0 0 40 43 1 0 0 0 0 40108 1 0 0 0 0 41 44 1 0 0 0 0 41113 1 0 0 0 0 42114 1 0 0 0 0 42115 1 0 0 0 0 42116 1 0 0 0 0 43117 1 0 0 0 0 43118 1 0 0 0 0 43119 1 0 0 0 0 44 45 1 0 0 0 0 44 46 2 0 0 0 0 45120 1 0 0 0 0 45121 1 0 0 0 0 45122 1 0 0 0 0 46 47 1 0 0 0 0 46123 1 0 0 0 0 47 48 2 0 0 0 0 47124 1 0 0 0 0 48 49 1 0 0 0 0 48125 1 0 0 0 0 49 50 1 0 0 0 0 49 51 2 0 0 0 0 50126 1 0 0 0 0 50127 1 0 0 0 0 50128 1 0 0 0 0 51 52 1 0 0 0 0 51129 1 0 0 0 0 52130 1 0 0 0 0 52131 1 0 0 0 0 M END > 11297083 > 1 > 999 > 3 > 2 > 17 > AAADcfB8MAAAAAAAAAAAAAAAAAAAAAAAAAA0QIAAAAAAAACRAAAAGgAACAAAD0SgmAICBoAABgCAAiBCAAACCAAgIAAIiAAECIgMNiKGMRqCeCCkwBEIuAfAwPAPwQADAAAYAACCAAYAADAAAAAAAAAAAA== > (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-ol;(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]chroman-6-ol > (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)-1-nona-2,4,6,8-tetraenol;(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydro-2H-1-benzopyran-6-ol > (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-ol;(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-ol > (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-ol;(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-ol > (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-ol;(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-ol > (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-ol;(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]chroman-6-ol > InChI=1S/C29H50O2.C20H30O/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-18-29(8)19-17-26-25(7)27(30)23(5)24(6)28(26)31-29;1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h20-22,30H,9-19H2,1-8H3;6,8-9,11-13,21H,7,10,14-15H2,1-5H3/b;9-6+,12-11+,16-8+,17-13+/t21-,22-,29-;/m1./s1 > KVHVUPHEOGIMJS-SOFIQVRGSA-N > 716.61074641 > C49H80O3 > 717.2 > CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CCO)C)C.CC1=C(C2=C(CCC(O2)(C)CCCC(C)CCCC(C)CCCC(C)C)C(=C1O)C)C > CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/CO)/C)/C.CC1=C(C2=C(CC[C@@](O2)(C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C(=C1O)C)C > 49.7 > 716.61074641 > 0 > 52 > 3 > 0 > 4 > 0 > 0 > 2 > -1 > 1 5 255 > 12 14 8 12 21 8 14 22 8 18 33 6 21 31 8 22 28 8 28 31 8 4 11 6 9 20 6 $$$$