3081854 -OEChem-03282405142D 68 70 0 1 0 0 0 0 0999 V2000 7.6487 -1.2735 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6200 0.6191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8949 1.7580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9167 -1.2735 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9167 -0.2735 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7827 -1.7735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0227 -1.8082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0227 0.2611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1166 -0.2527 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.1166 -1.2943 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7827 0.2265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6487 -0.2735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2827 -2.6395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2827 -2.6395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1166 -0.2488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7666 1.2680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5587 0.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5667 1.2749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4347 1.7716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6647 1.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3026 2.2682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9380 2.6395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9313 0.9036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1667 1.7649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0347 2.2616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8988 1.7582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7667 2.2549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6308 1.7516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9232 -2.1235 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9232 0.5765 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6291 -2.2872 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4273 -2.2780 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4273 0.7309 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6291 0.7402 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8087 0.2854 0.0000 H 2 0 0 0 0 0 0 0 0 0 0 0 3.3822 -1.7222 0.0000 H 2 0 0 0 0 0 0 0 0 0 0 0 4.1202 -1.9143 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7457 -2.9495 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5927 -3.1765 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8196 -2.3295 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7457 -2.3295 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9727 -3.1765 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8196 -2.9495 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5332 -0.4586 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2220 -0.8598 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0920 -0.0829 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6623 2.4157 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7030 2.7417 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9059 2.7447 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.6215 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4762 2.9475 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6301 3.1777 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3999 2.3316 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3932 0.5957 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2393 0.3655 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4695 1.2116 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8877 2.3779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7664 1.2915 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5634 1.2884 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4350 2.7350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6380 2.7380 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4984 1.2848 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2955 1.2818 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1671 2.7283 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3700 2.7314 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3187 1.2158 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1665 1.4395 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9429 2.2873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 12 1 0 0 0 0 2 15 1 0 0 0 0 2 50 1 0 0 0 0 3 16 1 0 0 0 0 3 57 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 4 29 1 1 0 0 0 5 8 1 0 0 0 0 5 11 1 0 0 0 0 5 30 1 6 0 0 0 6 13 1 0 0 0 0 6 14 1 0 0 0 0 7 10 1 0 0 0 0 7 31 1 0 0 0 0 7 32 1 0 0 0 0 8 9 1 0 0 0 0 8 33 1 0 0 0 0 8 34 1 0 0 0 0 9 10 1 0 0 0 0 9 15 1 1 0 0 0 9 35 1 0 0 0 0 10 36 1 6 0 0 0 10 37 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 17 2 0 0 0 0 13 38 1 0 0 0 0 13 39 1 0 0 0 0 13 40 1 0 0 0 0 14 41 1 0 0 0 0 14 42 1 0 0 0 0 14 43 1 0 0 0 0 15 44 1 0 0 0 0 15 45 1 0 0 0 0 16 20 1 0 0 0 0 17 18 1 0 0 0 0 17 46 1 0 0 0 0 18 19 1 0 0 0 0 18 20 2 0 0 0 0 19 21 1 0 0 0 0 19 22 1 0 0 0 0 19 23 1 0 0 0 0 20 47 1 0 0 0 0 21 24 1 0 0 0 0 21 48 1 0 0 0 0 21 49 1 0 0 0 0 22 51 1 0 0 0 0 22 52 1 0 0 0 0 22 53 1 0 0 0 0 23 54 1 0 0 0 0 23 55 1 0 0 0 0 23 56 1 0 0 0 0 24 25 1 0 0 0 0 24 58 1 0 0 0 0 24 59 1 0 0 0 0 25 26 1 0 0 0 0 25 60 1 0 0 0 0 25 61 1 0 0 0 0 26 27 1 0 0 0 0 26 62 1 0 0 0 0 26 63 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 66 1 0 0 0 0 28 67 1 0 0 0 0 28 68 1 0 0 0 0 M ISO 2 35 3 36 3 M END > 3081854 > 1 > 500 > 3 > 2 > 7 > AAADcfB4MAAAAAAAAAAAAAAAAAAAAAAAAAA0YIAAAAAAAACRAAAAGgAACAAAD0SgmAIyBoAABgCAAiBCAAACCAAgIAAAiAAGCIgMNyKGMRqCeCClwBUIuAeA4PwPwAABCAAIAACAAAYQADAAAAAAAAAAAA== > (6aR,8S,9R,10aR)-3-(1,1-dimethylheptyl)-9-(hydroxymethyl)-6,6-dimethyl-8,9-ditritio-7,8,10,10a-tetrahydro-6aH-benzo[c]chromen-1-ol > (6aR,8S,9R,10aR)-9-(hydroxymethyl)-6,6-dimethyl-3-(2-methyloctan-2-yl)-8,9-ditritio-7,8,10,10a-tetrahydro-6aH-benzo[c][1]benzopyran-1-ol > (6aR,8S,9R,10aR)-9-(hydroxymethyl)-6,6-dimethyl-3-(2-methyloctan-2-yl)-8,9-ditritio-7,8,10,10a-tetrahydro-6aH-benzo[c]chromen-1-ol > (6aR,8S,9R,10aR)-9-(hydroxymethyl)-6,6-dimethyl-3-(2-methyloctan-2-yl)-8,9-ditritio-7,8,10,10a-tetrahydro-6aH-benzo[c]chromen-1-ol > (6aR,8S,9R,10aR)-9-(hydroxymethyl)-6,6-dimethyl-3-(2-methyloctan-2-yl)-8,9-ditritio-7,8,10,10a-tetrahydro-6aH-benzo[c]chromen-1-ol > (6aR,8S,9R,10aR)-3-(1,1-dimethylheptyl)-6,6-dimethyl-9-methylol-8,9-ditritio-7,8,10,10a-tetrahydro-6aH-benzo[c]chromen-1-ol > InChI=1S/C25H40O3/c1-6-7-8-9-12-24(2,3)18-14-21(27)23-19-13-17(16-26)10-11-20(19)25(4,5)28-22(23)15-18/h14-15,17,19-20,26-27H,6-13,16H2,1-5H3/t17-,19-,20-/m1/s1/i10T,17T/t10-,17+,19+,20+/m0 > MVEVPDCVOXJVBD-FASICABJSA-N > 7 > 392.31419363 > C25H40O3 > 392.6 > CCCCCCC(C)(C)C1=CC(=C2C3CC(CCC3C(OC2=C1)(C)C)CO)O > [H][C@@]1(C[C@@H]2[C@@H](C[C@]1([3H])CO)C3=C(C=C(C=C3OC2(C)C)C(C)(C)CCCCCC)O)[3H] > 49.7 > 392.31419363 > 0 > 28 > 4 > 0 > 0 > 0 > 2 > 1 > -1 > 1 5 255 > 10 36 6 11 12 8 11 16 8 12 17 8 16 20 8 17 18 8 18 20 8 4 29 5 5 30 6 9 15 5 $$$$