Mrv1652309062205292D 41 44 0 0 1 0 999 V2000 -5.7625 -2.7477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2105 -2.1346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4654 -1.3500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4035 -2.3061 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8515 -1.6930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2384 -2.2451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4646 -1.1410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2995 -1.0799 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.4710 -0.2730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7565 0.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -0.4125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.6585 0.2549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -0.8250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7145 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.6500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.4125 -2.3645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 -0.9355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -1.2375 0.0000 C 0 0 1 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 1.4289 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -0.4125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8579 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -0.4125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2868 -0.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5690 -0.7752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7565 0.6320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0387 1.4072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8512 1.5505 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1333 2.3257 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 5.3815 0.9185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9118 1.5505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0959 0.5060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0993 0.1433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -1.2375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1434 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4790 -1.1662 0.0000 O 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 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 8 5 1 1 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 1 0 0 0 11 13 1 6 0 0 0 13 14 1 1 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 1 0 0 0 17 19 1 1 0 0 0 20 17 1 1 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 1 0 0 0 24 25 1 0 0 0 0 25 26 1 1 0 0 0 26 27 1 1 0 0 0 26 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 1 0 0 0 30 32 1 0 0 0 0 32 33 1 0 0 0 0 32 34 1 0 0 0 0 32 35 1 0 0 0 0 26 35 1 6 0 0 0 25 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 23 38 1 0 0 0 0 38 39 1 1 0 0 0 38 40 1 0 0 0 0 20 40 1 0 0 0 0 11 41 1 0 0 0 0 8 41 1 0 0 0 0 M END > NP0224918 > NP-MRD > CC(=O)OC(C)(C)[C@H]1CC[C@@](C)(O1)[C@@H](O)CC[C@](C)(O)[C@H]1CC[C@H]2O[C@H](CC[C@]2(C)O1)[C@]1(C)CC[C@@H](Br)C(C)(C)O1 > InChI=1S/C32H55BrO8/c1-20(34)38-28(4,5)23-14-18-30(7,39-23)22(35)13-16-29(6,36)24-10-11-25-31(8,40-24)19-15-26(37-25)32(9)17-12-21(33)27(2,3)41-32/h21-26,35-36H,10-19H2,1-9H3/t21-,22+,23-,24-,25-,26-,29+,30-,31+,32+/m1/s1 > CFIPFJIKZAGWFH-WMYXADBDSA-N > C32H55BrO8 > 647.688 > 646.308032 > 7 > 96 > 67.64823407263611 > 1 > 2 > 0 > 0 > 2-[(2R,5R)-5-[(1S,4S)-4-[(2R,4aR,6R,8aS)-6-[(2S,5R)-5-bromo-2,6,6-trimethyloxan-2-yl]-8a-methyl-octahydropyrano[3,2-b]pyran-2-yl]-1,4-dihydroxypentyl]-5-methyloxolan-2-yl]propan-2-yl acetate > 4.5192204270000005 > 1 > 4 > 0 > 14.332221205784105 > 13.722340371327963 > -3.213815270395826 > 103.68000000000002 > 159.541 > 9 > 0 > 2-[(2R,5R)-5-[(1S,4S)-4-[(2R,4aR,6R,8aS)-6-[(2S,5R)-5-bromo-2,6,6-trimethyloxan-2-yl]-8a-methyl-hexahydro-2H-pyrano[3,2-b]pyran-2-yl]-1,4-dihydroxypentyl]-5-methyloxolan-2-yl]propan-2-yl acetate > 0 > NP0224918 > 2-[(2r,5r)-5-[(1s,4s)-4-[(2r,4ar,6r,8as)-6-[(2s,5r)-5-bromo-2,6,6-trimethyloxan-2-yl]-8a-methyl-hexahydro-2h-pyrano[3,2-b]pyran-2-yl]-1,4-dihydroxypentyl]-5-methyloxolan-2-yl]propan-2-yl acetate $$$$