Mrv1652306242120043D 40 41 0 0 0 0 999 V2000 4.2016 -0.9313 -0.8061 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1665 -0.3648 -0.1782 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4232 0.0361 1.2338 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9027 -0.1778 -0.9047 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7558 -1.0125 -0.4884 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.4289 -0.2549 0.0685 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0022 0.2863 1.4143 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7593 0.8697 -0.8207 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2184 1.6208 -1.3023 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5706 1.2793 -0.9227 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4160 2.1163 -0.6289 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1817 1.1419 -1.1870 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.2441 2.4148 -1.6992 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0018 0.9847 0.0706 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.6443 2.0410 0.9237 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8048 -0.3714 0.6926 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.6425 -1.1451 0.1409 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.4063 -2.3956 0.9322 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0835 -1.2454 -1.8312 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1670 -1.1000 -0.3504 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9042 0.9875 1.4679 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0558 -0.7503 1.9008 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5173 0.1192 1.4403 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1474 -0.3810 -2.0103 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3629 -1.5713 -1.3759 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0766 -1.8284 0.2194 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6860 -0.4620 1.9076 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5489 1.2378 1.3118 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8028 0.4622 2.1280 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0383 2.4486 -1.9416 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5338 0.4156 -1.9591 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2158 2.4321 -2.7074 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0908 1.0759 -0.1741 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0185 2.8634 0.5179 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6144 -0.2105 1.7846 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7558 -0.9766 0.6270 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8636 -1.4553 -0.9040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8075 -3.1211 0.3703 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3991 -2.8614 1.1212 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9482 -2.2167 1.9187 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 3 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 1 0 0 0 6 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 8 12 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 10 4 1 0 0 0 0 17 6 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 3 22 1 0 0 0 0 3 23 1 0 0 0 0 4 24 1 6 0 0 0 5 25 1 0 0 0 0 5 26 1 0 0 0 0 7 27 1 0 0 0 0 7 28 1 0 0 0 0 7 29 1 0 0 0 0 9 30 1 0 0 0 0 12 31 1 6 0 0 0 13 32 1 0 0 0 0 14 33 1 6 0 0 0 15 34 1 0 0 0 0 16 35 1 0 0 0 0 16 36 1 0 0 0 0 17 37 1 6 0 0 0 18 38 1 0 0 0 0 18 39 1 0 0 0 0 18 40 1 0 0 0 0 M END > NP0014523 > NP-MRD > [H]O[C@@]1([H])C2=C([H])C(=O)[C@@]([H])(C(=C([H])[H])C([H])([H])[H])C([H])([H])[C@]2(C([H])([H])[H])[C@@]([H])(C([H])([H])[H])C([H])([H])[C@@]1([H])O[H] > InChI=1S/C15H22O3/c1-8(2)10-7-15(4)9(3)5-13(17)14(18)11(15)6-12(10)16/h6,9-10,13-14,17-18H,1,5,7H2,2-4H3/t9-,10+,13+,14-,15+/m0/s1 > OCZNKZTZGZPZCU-MGZPQWHJSA-N > C15H22O3 > 250.338 > 250.156894568 > 3 > 40 > 27.30457016855161 > 1 > 2 > 0 > 1 > (3R,4aR,5S,7R,8S)-7,8-dihydroxy-4a,5-dimethyl-3-(prop-1-en-2-yl)-2,3,4,4a,5,6,7,8-octahydronaphthalen-2-one > 1.28 > 1.650089320666668 > -1.97 > 0 > 2 > 0 > 15.06639924418156 > 13.458640326124634 > -3.1787959615717662 > 57.53 > 70.9734 > 1 > 1 > 2.68e+00 g/l > (3R,4aR,5S,7R,8S)-7,8-dihydroxy-4a,5-dimethyl-3-(prop-1-en-2-yl)-3,4,5,6,7,8-hexahydronaphthalen-2-one > 0 > NP0014523 > Guignarderemophilane B $$$$