Mrv1652306242117173D 36 37 0 0 0 0 999 V2000 -1.5999 2.3950 0.6104 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1516 0.9421 0.7709 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.3675 0.1197 0.4408 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.1062 -1.3268 0.2614 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.8845 -1.6441 -0.5541 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.1810 -1.3777 -1.8868 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2717 -0.8435 -0.0657 C 0 0 1 0 0 0 0 0 0 0 0 0 0.6293 -1.2431 1.3328 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4647 -1.1348 -0.9862 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6400 -0.5037 -0.2939 C 0 0 1 0 0 0 0 0 0 0 0 0 2.4710 0.9209 0.0593 C 0 0 1 0 0 0 0 0 0 0 0 0 1.1378 1.5170 -0.0935 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0282 0.6189 -0.2215 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.6514 0.7510 -1.4873 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8113 3.0490 0.2545 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0469 2.7342 1.5675 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4359 2.4663 -0.1462 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8395 0.7390 1.8090 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7770 0.5269 -0.5178 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1098 0.2640 1.2420 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1143 -1.8966 1.2346 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9815 -1.7627 -0.3045 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6505 -2.7208 -0.4386 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5042 -1.7045 -2.5131 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2176 -2.1933 1.2916 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2576 -1.4788 1.9680 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1688 -0.4332 1.8605 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6385 -2.2188 -1.0541 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3307 -0.6457 -1.9591 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8716 -1.1339 0.6153 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5302 -0.6856 -0.9662 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8834 1.0648 1.1034 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1966 1.5121 -0.5780 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9526 2.1841 0.8021 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1019 2.2449 -0.9590 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0074 0.8978 -2.1985 H 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 5 7 1 0 0 0 0 7 8 1 1 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 0 0 0 0 12 13 1 0 0 0 0 13 14 1 6 0 0 0 13 2 1 0 0 0 0 13 7 1 0 0 0 0 1 15 1 0 0 0 0 1 16 1 0 0 0 0 1 17 1 0 0 0 0 2 18 1 1 0 0 0 3 19 1 0 0 0 0 3 20 1 0 0 0 0 4 21 1 0 0 0 0 4 22 1 0 0 0 0 5 23 1 6 0 0 0 6 24 1 0 0 0 0 8 25 1 0 0 0 0 8 26 1 0 0 0 0 8 27 1 0 0 0 0 9 28 1 0 0 0 0 9 29 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 14 36 1 0 0 0 0 M END > NP0015238 > NP-MRD > [H]O[C@]1([H])C([H])([H])C([H])([H])[C@]([H])(C([H])([H])[H])[C@@]2(O[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[C@]12C([H])([H])[H] > InChI=1S/C12H22O2/c1-9-5-6-10(13)11(2)7-3-4-8-12(9,11)14/h9-10,13-14H,3-8H2,1-2H3/t9-,10+,11+,12-/m0/s1 > WSPUQWIFSUZMQU-QCNOEVLYSA-N > C12H22O2 > 198.306 > 198.161979948 > 2 > 36 > 22.670292031277192 > 1 > 2 > 0 > 1 > (1R,4S,4aS,8aR)-4,8a-dimethyl-decahydronaphthalene-1,4a-diol > 2.18 > 1.941770724333333 > -1.71 > 0 > 2 > 0 > 14.837429861315314 > 14.00445183653089 > -2.963369173918802 > 40.46 > 56.09329999999999 > 0 > 1 > 3.88e+00 g/l > (1R,4S,4aS,8aR)-4,8a-dimethyl-octahydronaphthalene-1,4a-diol > 0 > NP0015238 > (1β,4β,4aβ,8aα)-4,8a-dimethyloctahydronaphthalene-1,4a(2H)-diol $$$$