Mrv1652309122214012D 23 24 0 0 1 0 999 V2000 3.9597 -1.1409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2452 -1.5534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2452 -2.3784 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5307 -1.1409 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8163 -1.5534 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.8163 -2.3784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1018 -2.7909 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.1018 -3.6159 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.3873 -2.3784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1051 -3.1537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4252 -2.2352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3873 -1.5534 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1018 -1.1409 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4891 -0.4125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.0519 0.2871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4392 1.0156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2637 1.0444 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.0922 1.8513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0287 1.3534 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.7009 0.3447 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.5254 0.3735 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 2.3136 -0.3837 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 2 4 1 0 0 0 0 5 4 1 1 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 6 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 12 13 1 0 0 0 0 5 13 1 0 0 0 0 13 14 1 6 0 0 0 13 15 1 1 0 0 0 15 16 1 6 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 6 0 0 0 18 20 1 1 0 0 0 18 21 1 0 0 0 0 21 22 1 6 0 0 0 21 23 1 0 0 0 0 15 23 1 0 0 0 0 M END > NP0328500 > NP-MRD > CC(=O)O[C@H]1C[C@H](Br)C(C)(C)O[C@@]1(C)[C@@H]1CC[C@@](C)(Cl)[C@H](Br)C1 > InChI=1S/C17H27Br2ClO3/c1-10(21)22-14-9-12(18)15(2,3)23-17(14,5)11-6-7-16(4,20)13(19)8-11/h11-14H,6-9H2,1-5H3/t11-,12+,13-,14+,16-,17+/m1/s1 > PVGGMHHFCWKSQT-JQBKIFNJSA-N > C17H27Br2ClO3 > 474.66 > 472.001548 > 2 > 50 > 41.67020072409608 > 1 > 0 > 0 > 1 > (2S,3S,5S)-5-bromo-2-[(1R,3R,4R)-3-bromo-4-chloro-4-methylcyclohexyl]-2,6,6-trimethyloxan-3-yl acetate > 4.598939084333331 > 0 > 2 > 0 > -4.231348890724159 > 35.53 > 98.88499999999999 > 3 > 1 > (2S,3S,5S)-5-bromo-2-[(1R,3R,4R)-3-bromo-4-chloro-4-methylcyclohexyl]-2,6,6-trimethyloxan-3-yl acetate > 1 > NP0328500 > (2s,3s,5s)-5-bromo-2-[(1r,3r,4r)-3-bromo-4-chloro-4-methylcyclohexyl]-2,6,6-trimethyloxan-3-yl acetate $$$$