Mrv1652306192119023D 44 46 0 0 0 0 999 V2000 0.9410 5.4198 1.2904 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7798 3.9667 1.7275 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0477 3.4662 2.4225 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3563 3.0581 0.5800 C 0 0 2 0 0 0 0 0 0 0 0 0 1.2559 2.9035 -0.6249 C 0 0 2 0 0 0 0 0 0 0 0 0 0.8954 3.8508 -1.7793 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.2883 3.4297 -2.6861 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.4091 4.4560 -3.8269 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0210 2.1692 -3.2852 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6305 3.3137 -1.9199 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.8479 2.9969 -2.7965 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.9006 2.5769 -1.7798 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.1305 1.6715 -0.8142 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.8105 1.5950 0.5491 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1710 0.3427 -1.3599 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6599 2.1835 -0.8608 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.1129 2.6959 0.4388 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.1860 1.8106 1.0653 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7822 5.5431 0.6006 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0354 5.7795 0.7907 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1257 6.0653 2.1558 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0174 3.9522 2.4837 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2581 4.0643 3.3157 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9242 3.5277 1.7700 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9378 2.4227 2.7358 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2650 1.8648 -0.9764 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2897 3.1136 -0.3297 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7928 3.9122 -2.4108 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7141 4.8616 -1.3992 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5481 4.5758 -4.3480 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1215 4.1251 -4.5902 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7207 5.4370 -3.4536 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8222 2.2728 -3.8266 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8229 4.2778 -1.4248 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1825 3.8640 -3.3741 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6399 2.1771 -3.4939 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7369 2.0678 -2.2697 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2840 3.4668 -1.2659 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8048 1.1420 0.4573 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2438 0.9546 1.2342 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9349 2.5806 1.0076 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5607 -0.2067 -0.8365 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0328 1.3501 -1.2035 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8108 3.2654 1.0368 H 0 0 0 0 0 0 0 0 0 0 0 0 17 18 1 0 0 0 0 4 18 1 0 0 0 0 4 5 1 0 0 0 0 16 10 1 0 0 0 0 16 17 1 0 0 0 0 7 9 1 6 0 0 0 7 6 1 0 0 0 0 13 15 1 6 0 0 0 10 7 1 0 0 0 0 16 43 1 6 0 0 0 6 5 1 0 0 0 0 4 2 1 1 0 0 0 10 11 1 0 0 0 0 2 1 1 0 0 0 0 11 12 1 0 0 0 0 2 3 1 0 0 0 0 12 13 1 0 0 0 0 7 8 1 0 0 0 0 13 16 1 0 0 0 0 10 34 1 1 0 0 0 17 4 1 0 0 0 0 13 14 1 0 0 0 0 6 28 1 0 0 0 0 6 29 1 0 0 0 0 5 26 1 0 0 0 0 5 27 1 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 12 37 1 0 0 0 0 12 38 1 0 0 0 0 17 44 1 1 0 0 0 9 33 1 0 0 0 0 15 42 1 0 0 0 0 2 22 1 1 0 0 0 1 19 1 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 3 23 1 0 0 0 0 3 24 1 0 0 0 0 3 25 1 0 0 0 0 8 30 1 0 0 0 0 8 31 1 0 0 0 0 8 32 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 14 41 1 0 0 0 0 M END > NP0024729 > NP-MRD > [H]O[C@]1(C([H])([H])[H])C([H])([H])C([H])([H])[C@@]2([H])[C@@]1([H])[C@@]1([H])O[C@]1(C([H])([H])C([H])([H])[C@]2(O[H])C([H])([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H] > InChI=1S/C15H26O3/c1-9(2)15-8-7-13(3,16)10-5-6-14(4,17)11(10)12(15)18-15/h9-12,16-17H,5-8H2,1-4H3/t10-,11-,12+,13+,14+,15+/m0/s1 > FIFOXQSFMIBNQJ-BBZRCZKMSA-N > C15H26O3 > 254.37 > 254.188194697 > 3 > 44 > 28.913708883267255 > 1 > 2 > 0 > 1 > (1aR,4R,4aS,7R,7aS,7bR)-4,7-dimethyl-1a-(propan-2-yl)-decahydroazuleno[4,5-b]oxirene-4,7-diol > 1.68 > 1.520195407666666 > -2.60 > 0 > 3 > 0 > 15.037092256434061 > 14.42525355105445 > -2.90080251110556 > 52.99 > 69.62029999999999 > 1 > 1 > 6.33e-01 g/l > (1aR,4R,4aS,7R,7aS,7bR)-1a-isopropyl-4,7-dimethyl-hexahydro-2H-azuleno[4,5-b]oxirene-4,7-diol > 0 > NP0024729 > guaia-6alpha,7alpha-epoxy-4alpha,10alpha-diol $$$$