Mrv1652306242117193D 48 50 0 0 0 0 999 V2000 -4.7735 -0.6051 -1.4959 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7416 0.0684 -1.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3123 -0.1207 0.4119 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.5980 -0.0750 1.2504 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7281 -1.4920 0.6072 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.2999 -1.6057 0.2238 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.4843 -0.4081 0.3272 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8929 -0.5431 0.0980 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7098 0.5747 0.1842 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1754 1.8079 0.4922 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1766 1.9332 0.7159 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7622 3.1433 1.0272 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0035 0.8142 0.6311 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4375 0.9806 0.8805 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.5821 1.0820 2.2857 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1781 0.5261 -0.0407 C 0 0 2 0 0 0 0 0 0 0 0 0 3.9179 1.4519 0.9134 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4796 0.9648 -1.4345 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6066 -0.8925 0.2532 C 0 0 2 0 0 0 0 0 0 0 0 0 4.9777 -1.0526 0.2334 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8770 -1.7921 -0.6841 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4368 -1.8872 -0.2300 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.1147 -0.4960 -2.5122 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2968 -1.2934 -0.8557 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2272 0.7558 -1.6572 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3476 0.1609 2.3161 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1111 -1.0473 1.2359 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2737 0.7133 0.9080 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8829 -1.8000 1.6581 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3190 -2.1935 -0.0201 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1792 -2.0374 -0.8132 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8354 -2.3932 0.8882 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8204 2.6953 0.5610 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1630 3.9564 1.0891 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7922 1.9350 0.4325 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8517 0.5918 2.7240 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9682 1.0900 0.9757 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9576 2.4558 0.4408 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4373 1.4728 1.9117 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5267 0.7195 -1.7223 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4453 2.0938 -1.4364 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7446 0.6466 -2.1870 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2663 -1.1193 1.2882 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4220 -0.6943 -0.5529 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3343 -2.7928 -0.7112 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8540 -1.4253 -1.7300 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4618 -2.4736 0.7314 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8035 -2.3939 -0.9837 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 3 0 0 0 3 2 1 6 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 9 16 1 0 0 0 0 16 17 1 1 0 0 0 16 18 1 0 0 0 0 16 19 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 14 3 1 0 0 0 0 13 7 1 0 0 0 0 22 8 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 2 25 1 0 0 0 0 4 26 1 0 0 0 0 4 27 1 0 0 0 0 4 28 1 0 0 0 0 5 29 1 0 0 0 0 5 30 1 0 0 0 0 6 31 1 0 0 0 0 6 32 1 0 0 0 0 10 33 1 0 0 0 0 12 34 1 0 0 0 0 14 35 1 6 0 0 0 15 36 1 0 0 0 0 17 37 1 0 0 0 0 17 38 1 0 0 0 0 17 39 1 0 0 0 0 18 40 1 0 0 0 0 18 41 1 0 0 0 0 18 42 1 0 0 0 0 19 43 1 1 0 0 0 20 44 1 0 0 0 0 21 45 1 0 0 0 0 21 46 1 0 0 0 0 22 47 1 0 0 0 0 22 48 1 0 0 0 0 M END > NP0015390 > NP-MRD > [H]OC1=C2C(=C3C(=C1[H])C(C([H])([H])[H])(C([H])([H])[H])[C@]([H])(O[H])C([H])([H])C3([H])[H])C([H])([H])C([H])([H])[C@@](C([H])=C([H])[H])(C([H])([H])[H])[C@@]2([H])O[H] > InChI=1S/C19H26O3/c1-5-19(4)9-8-12-11-6-7-15(21)18(2,3)13(11)10-14(20)16(12)17(19)22/h5,10,15,17,20-22H,1,6-9H2,2-4H3/t15-,17+,19+/m1/s1 > JTSCFAASGVXBPT-AYBZRNKSSA-N > C19H26O3 > 302.414 > 302.188194697 > 3 > 48 > 34.74175667112847 > 1 > 3 > 0 > 1 > (1R,2R,7R)-2-ethenyl-2,8,8-trimethyl-1,2,3,4,5,6,7,8-octahydrophenanthrene-1,7,10-triol > 3.15 > 3.5831873436666664 > -3.15 > 0 > 3 > 0 > 13.952102141765394 > 10.260723580180906 > -2.9758106916993015 > 60.69 > 88.57279999999999 > 1 > 1 > 2.15e-01 g/l > (1R,2R,7R)-2-ethenyl-2,8,8-trimethyl-1,3,4,5,6,7-hexahydrophenanthrene-1,7,10-triol > 0 > NP0015390 > Aspewentin H $$$$