Mrv1652309072211372D 24 25 0 0 1 0 999 V2000 2.7835 -3.3173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5014 -2.5420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6889 -2.3988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1586 -3.0308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3461 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1842 -3.5195 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7145 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5303 -3.9320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5303 -4.7570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1842 -5.1695 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.1842 -5.9945 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.8986 -4.7570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1808 -5.5322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7111 -4.6137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8986 -3.9320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0317 -1.9100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.7495 -1.1348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2798 -0.5028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0923 -0.6461 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.0923 0.1789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9047 -0.5028 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3744 -1.4213 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1869 -1.5646 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 3.8441 -2.0533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 6 5 1 1 0 0 0 6 7 1 6 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 6 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 15 1 0 0 0 0 6 15 1 0 0 0 0 16 2 1 1 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 6 0 0 0 19 21 1 1 0 0 0 19 22 1 0 0 0 0 22 23 1 1 0 0 0 22 24 1 0 0 0 0 16 24 1 0 0 0 0 M END > NP0247686 > NP-MRD > C\C(=C/C=C/[C@@]1(C)CC[C@H](Br)C(C)(C)O1)[C@H]1CC[C@@](C)(O)[C@@H](Br)C1 > InChI=1S/C20H32Br2O2/c1-14(15-8-12-20(5,23)17(22)13-15)7-6-10-19(4)11-9-16(21)18(2,3)24-19/h6-7,10,15-17,23H,8-9,11-13H2,1-5H3/b10-6+,14-7+/t15-,16-,17-,19-,20+/m0/s1 > PZQOXRKFZMYSOB-LWDQLIFBSA-N > C20H32Br2O2 > 464.282 > 462.076906 > 2 > 56 > 44.17814595541877 > 1 > 1 > 0 > 1 > (1R,2S,4S)-2-bromo-4-[(2E,4E)-5-[(2R,5S)-5-bromo-2,6,6-trimethyloxan-2-yl]penta-2,4-dien-2-yl]-1-methylcyclohexan-1-ol > 5.326665779333332 > 0 > 2 > 0 > 14.050737763777004 > -3.214007302123938 > 29.46 > 110.20679999999999 > 3 > 0 > (1R,2S,4S)-2-bromo-4-[(2E,4E)-5-[(2R,5S)-5-bromo-2,6,6-trimethyloxan-2-yl]penta-2,4-dien-2-yl]-1-methylcyclohexan-1-ol > 1 > NP0247686 > (1r,2s,4s)-2-bromo-4-[(2e,4e)-5-[(2r,5s)-5-bromo-2,6,6-trimethyloxan-2-yl]penta-2,4-dien-2-yl]-1-methylcyclohexan-1-ol $$$$