5311172 -OEChem-04162417162D 72 74 0 1 0 0 0 0 0999 V2000 6.8765 5.0549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9513 1.9467 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4132 1.8258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0972 3.7601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4961 3.7513 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.2373 4.7172 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.9739 5.6998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7172 2.8856 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2706 4.4061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2312 4.2601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5972 2.8941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5462 3.4448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6823 1.8863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8862 5.1941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7993 1.4168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5303 1.3563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7644 0.4174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4954 0.3569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6125 -0.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5776 -1.1119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5427 -2.1113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5770 -1.1468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5782 -1.0770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0683 1.4772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2613 1.2959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3907 -2.6412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3558 -3.6406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2039 -4.1705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1690 -5.1699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0170 -5.6998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7161 2.9303 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0173 5.5383 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6561 6.2322 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5871 5.7918 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4606 2.4736 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9212 3.7232 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6942 4.5701 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5412 4.7971 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1341 2.5841 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2872 2.3572 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0603 3.2041 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1288 3.2328 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3388 5.4852 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0778 5.7838 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2582 5.5435 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2170 0.1263 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0212 0.0284 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3104 -2.6862 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9362 -1.9824 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5986 -0.5272 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1966 -1.1684 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5553 -1.7664 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5565 -1.6966 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9585 -1.0554 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5998 -0.4574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6230 -2.0664 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9972 -2.7701 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3594 0.9298 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5209 1.1862 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7772 2.0247 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5898 1.8217 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7871 0.9673 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9328 0.7701 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1236 -4.2155 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7494 -3.5117 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4361 -3.5957 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8103 -4.2994 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9367 -5.7448 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5625 -5.0410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3456 -5.1741 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5428 -6.0284 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6885 -6.2256 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 45 1 0 0 0 0 2 15 1 0 0 0 0 2 24 1 0 0 0 0 3 16 1 0 0 0 0 3 25 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 10 1 0 0 0 0 4 11 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 5 31 1 1 0 0 0 6 7 1 0 0 0 0 6 9 1 0 0 0 0 6 32 1 6 0 0 0 7 33 1 0 0 0 0 7 34 1 0 0 0 0 8 12 1 0 0 0 0 8 13 1 0 0 0 0 8 35 1 6 0 0 0 9 12 2 0 0 0 0 9 14 1 0 0 0 0 10 36 1 0 0 0 0 10 37 1 0 0 0 0 10 38 1 0 0 0 0 11 39 1 0 0 0 0 11 40 1 0 0 0 0 11 41 1 0 0 0 0 12 42 1 0 0 0 0 13 15 2 0 0 0 0 13 16 1 0 0 0 0 14 43 1 0 0 0 0 14 44 1 0 0 0 0 15 17 1 0 0 0 0 16 18 2 0 0 0 0 17 19 2 0 0 0 0 17 46 1 0 0 0 0 18 19 1 0 0 0 0 18 47 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 20 23 1 0 0 0 0 21 26 1 0 0 0 0 21 48 1 0 0 0 0 21 49 1 0 0 0 0 22 50 1 0 0 0 0 22 51 1 0 0 0 0 22 52 1 0 0 0 0 23 53 1 0 0 0 0 23 54 1 0 0 0 0 23 55 1 0 0 0 0 24 58 1 0 0 0 0 24 59 1 0 0 0 0 24 60 1 0 0 0 0 25 61 1 0 0 0 0 25 62 1 0 0 0 0 25 63 1 0 0 0 0 26 27 1 0 0 0 0 26 56 1 0 0 0 0 26 57 1 0 0 0 0 27 28 1 0 0 0 0 27 64 1 0 0 0 0 27 65 1 0 0 0 0 28 29 1 0 0 0 0 28 66 1 0 0 0 0 28 67 1 0 0 0 0 29 30 1 0 0 0 0 29 68 1 0 0 0 0 29 69 1 0 0 0 0 30 70 1 0 0 0 0 30 71 1 0 0 0 0 30 72 1 0 0 0 0 M END > 5311172 > 1 > 579 > 3 > 1 > 10 > AAADcfB4MAAAAAAAAAAAAAAAAABgAAAAAAAwQIAAAAAAAAABAAAAGgAACAAADwSgmAIyBoAABgCAAiBCAAACCAAgIAAAiAAGCIgMNyKEMRqAcCAlwBUIuAeA4PwPwAABCAAIAACAAAIQABAAAAAAAAAAAA== > [(1R,4R,5R)-4-[4-(1,1-dimethylheptyl)-2,6-dimethoxy-phenyl]-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methanol > [(1R,4R,5R)-4-[2,6-dimethoxy-4-(2-methyloctan-2-yl)phenyl]-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methanol > [(1R,4R,5R)-4-[2,6-dimethoxy-4-(2-methyloctan-2-yl)phenyl]-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methanol > [(1R,4R,5R)-4-[2,6-dimethoxy-4-(2-methyloctan-2-yl)phenyl]-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methanol > [(1R,4R,5R)-4-[2,6-dimethoxy-4-(2-methyloctan-2-yl)phenyl]-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methanol > [(1R,4R,5R)-4-[4-(1,1-dimethylheptyl)-2,6-dimethoxy-phenyl]-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methanol > InChI=1S/C27H42O3/c1-8-9-10-11-12-26(2,3)19-14-23(29-6)25(24(15-19)30-7)20-13-18(17-28)21-16-22(20)27(21,4)5/h13-15,20-22,28H,8-12,16-17H2,1-7H3/t20-,21+,22-/m1/s1 > CFMRIVODIXTERW-BHIFYINESA-N > 7.4 > 414.31339520 > C27H42O3 > 414.6 > CCCCCCC(C)(C)C1=CC(=C(C(=C1)OC)C2C=C(C3CC2C3(C)C)CO)OC > CCCCCCC(C)(C)C1=CC(=C(C(=C1)OC)[C@@H]2C=C([C@@H]3C[C@H]2C3(C)C)CO)OC > 38.7 > 414.31339520 > 0 > 30 > 3 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 13 15 8 13 16 8 15 17 8 16 18 8 17 19 8 18 19 8 5 31 5 6 32 6 8 35 6 $$$$