Mrv1652304292203182D 19 21 0 0 1 0 999 V2000 4.3402 2.8396 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.1008 2.0501 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.2973 1.8627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7333 2.4648 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.9727 3.2543 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7762 3.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2959 3.7260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6381 3.2280 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.9085 2.4486 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.2507 1.9506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5739 2.4223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8133 3.2118 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.3153 3.8695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1788 1.6691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3678 4.0075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6633 1.6428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6648 1.4481 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 5.1376 2.6279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9616 3.3823 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 1 6 1 0 0 0 0 5 7 1 1 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 4 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 8 12 1 0 0 0 0 12 13 1 1 0 0 0 9 14 1 1 0 0 0 8 15 1 1 0 0 0 4 16 1 6 0 0 0 2 17 1 1 0 0 0 1 18 1 1 0 0 0 1 19 1 6 0 0 0 M END > NP0080260 > NP-MRD > C[C@@H]1CC[C@]2(C)[C@@]1(C)O[C@H]1C[C@](C)(Cl)[C@@H](Br)C[C@@]21O > InChI=1S/C15H24BrClO2/c1-9-5-6-13(3)14(9,4)19-11-8-12(2,17)10(16)7-15(11,13)18/h9-11,18H,5-8H2,1-4H3/t9-,10+,11+,12+,13-,14+,15+/m1/s1 > YGGZBLBKCSRZKV-LHJKONGQSA-N > C15H24BrClO2 > 351.71 > 350.064821 > 2 > 43 > 32.966614449178785 > 1 > 1 > 0 > 1 > (1R,2S,5R,6S,8S,10S,11S)-11-bromo-10-chloro-2,5,6,10-tetramethyl-7-oxatricyclo[6.4.0.0^{2,6}]dodecan-1-ol > 4.38 > 3.3217615199999986 > -5.02 > 0 > 3 > 0 > 13.346256538887303 > -3.5221473898906934 > 29.46 > 79.85140000000001 > 0 > 1 > 3.36e-03 g/l > (1R,2S,5R,6S,8S,10S,11S)-11-bromo-10-chloro-2,5,6,10-tetramethyl-7-oxatricyclo[6.4.0.0^{2,6}]dodecan-1-ol > 1 > NP0080260 > (+)-Ibhayinol $$$$