Mrv1652309122217192D 37 40 0 0 1 0 999 V2000 0.0000 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -1.2375 0.0000 C 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 -2.1434 -1.2375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.1434 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 -1.6500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.1934 -0.8963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3730 -2.3174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 -2.9849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6425 -2.7299 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.3099 -3.2149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9774 -3.6998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8250 -3.8823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7949 -2.5474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6425 -1.9049 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 2 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 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 1 0 0 0 7 5 1 1 0 0 0 7 8 1 6 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 6 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 15 1 0 0 0 0 11 16 1 0 0 0 0 7 16 1 0 0 0 0 17 2 1 1 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 1 0 0 0 21 22 1 0 0 0 0 22 23 1 1 0 0 0 23 24 1 1 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 1 0 0 0 27 29 1 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 29 32 1 0 0 0 0 23 32 1 6 0 0 0 22 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 20 35 1 0 0 0 0 35 36 1 6 0 0 0 35 37 1 0 0 0 0 17 37 1 0 0 0 0 M END > NP0330198 > NP-MRD > C\C(=C/C[C@H](O)[C@@]1(C)CC[C@@H](O1)C(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/C30H51BrO6/c1-19(9-11-22(32)28(6)17-14-23(36-28)26(2,3)33)20-10-12-24-29(7,35-20)18-15-25(34-24)30(8)16-13-21(31)27(4,5)37-30/h9,20-25,32-33H,10-18H2,1-8H3/b19-9+/t20-,21-,22+,23-,24-,25-,28-,29-,30+/m1/s1 > JJTXYVOUNQSSNW-KRSABTGPSA-N > C30H51BrO6 > 587.636 > 586.286902 > 6 > 88 > 62.73251769796644 > 1 > 2 > 0 > 0 > (1S,3E)-4-[(2R,4aR,6R,8aR)-6-[(2S,5R)-5-bromo-2,6,6-trimethyloxan-2-yl]-8a-methyl-octahydropyrano[3,2-b]pyran-2-yl]-1-[(2R,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]pent-3-en-1-ol > 4.909769030333331 > 1 > 4 > 0 > 14.475094576041734 > 13.789830500275755 > -3.093974263441468 > 77.38000000000001 > 149.63439999999997 > 6 > 0 > (1S,3E)-4-[(2R,4aR,6R,8aR)-6-[(2S,5R)-5-bromo-2,6,6-trimethyloxan-2-yl]-8a-methyl-hexahydro-2H-pyrano[3,2-b]pyran-2-yl]-1-[(2R,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]pent-3-en-1-ol > 0 > NP0330198 > (1s,3e)-4-[(2r,4ar,6r,8ar)-6-[(2s,5r)-5-bromo-2,6,6-trimethyloxan-2-yl]-8a-methyl-hexahydro-2h-pyrano[3,2-b]pyran-2-yl]-1-[(2r,5r)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]pent-3-en-1-ol $$$$