Mrv1652306242119543D 43 44 0 0 0 0 999 V2000 -2.7281 3.0701 0.1101 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0684 1.7132 0.0545 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8497 1.5666 -0.4445 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1238 0.2742 -0.5393 C 0 0 1 0 0 0 0 0 0 0 0 0 1.0232 0.2840 0.4329 C 0 0 2 0 0 0 0 0 0 0 0 0 1.9828 1.3592 0.0306 C 0 0 2 0 0 0 0 0 0 0 0 0 2.5485 1.1739 -1.3447 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1647 1.4018 1.0011 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6887 -1.0220 0.6227 C 0 0 1 0 0 0 0 0 0 0 0 0 2.4032 -0.9636 1.8437 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8069 -2.2065 0.6851 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.4129 -2.1730 -0.1536 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.4064 -3.1756 0.3973 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0817 -0.8297 -0.2302 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.9977 -0.8879 -1.3019 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8827 -0.5052 1.0019 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.8804 0.5837 0.5930 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.0748 3.8501 -0.3081 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7088 3.0185 -0.4471 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0061 3.2632 1.1680 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3464 2.4511 -0.8092 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2948 0.1212 -1.5570 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5900 0.5968 1.4250 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5099 2.3654 0.0606 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1077 0.2320 -1.4739 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8038 1.3561 -2.1559 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3148 1.9916 -1.4836 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7390 2.3301 0.7806 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8317 1.3348 2.0490 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8535 0.5440 0.7878 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4907 -1.1939 -0.1523 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8699 -1.8455 1.9753 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5021 -2.4370 1.7464 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4124 -3.1053 0.3698 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1848 -2.5164 -1.2025 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4365 -2.9825 0.0445 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0479 -4.1829 0.0481 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3463 -3.2169 1.5136 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5941 -1.2769 -2.1002 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2926 -0.0811 1.8218 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4858 -1.3467 1.3630 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5000 0.9084 1.4534 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4823 0.1584 -0.2344 H 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 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 5 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 14 15 1 6 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 17 2 1 0 0 0 0 14 4 1 0 0 0 0 1 18 1 0 0 0 0 1 19 1 0 0 0 0 1 20 1 0 0 0 0 3 21 1 0 0 0 0 4 22 1 6 0 0 0 5 23 1 1 0 0 0 6 24 1 6 0 0 0 7 25 1 0 0 0 0 7 26 1 0 0 0 0 7 27 1 0 0 0 0 8 28 1 0 0 0 0 8 29 1 0 0 0 0 8 30 1 0 0 0 0 9 31 1 6 0 0 0 10 32 1 0 0 0 0 11 33 1 0 0 0 0 11 34 1 0 0 0 0 12 35 1 6 0 0 0 13 36 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 15 39 1 0 0 0 0 16 40 1 0 0 0 0 16 41 1 0 0 0 0 17 42 1 0 0 0 0 17 43 1 0 0 0 0 M END > NP0014310 > NP-MRD > [H]O[C@@]1([H])C([H])([H])[C@@]([H])(C([H])([H])[H])[C@@]2(O[H])C([H])([H])C([H])([H])C(=C([H])[C@@]2([H])[C@]1([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H] > InChI=1S/C15H26O2/c1-9(2)14-12-7-10(3)5-6-15(12,17)11(4)8-13(14)16/h7,9,11-14,16-17H,5-6,8H2,1-4H3/t11-,12+,13+,14+,15+/m1/s1 > URSADROJPOUESD-QTVXIADOSA-N > C15H26O2 > 238.371 > 238.193280077 > 2 > 43 > 28.493498027771 > 1 > 2 > 0 > 1 > (1S,2S,4R,4aS,8aS)-4,7-dimethyl-1-(propan-2-yl)-1,2,3,4,4a,5,6,8a-octahydronaphthalene-2,4a-diol > 2.31 > 2.385862616999999 > -2.56 > 0 > 2 > 0 > 15.007793894378317 > 14.176936734615364 > -2.840053964205871 > 40.46 > 70.869 > 1 > 1 > 6.62e-01 g/l > (1S,2S,4R,4aS,8aS)-1-isopropyl-4,7-dimethyl-2,3,4,5,6,8a-hexahydro-1H-naphthalene-2,4a-diol > 0 > NP0014310 > Trefoliol B $$$$