Mrv1652306192119043D 57 59 0 0 0 0 999 V2000 3.9736 2.9461 1.9148 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6741 3.2891 1.9550 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0154 3.9698 0.7853 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8205 3.0187 3.1764 C 0 0 1 0 0 0 0 0 0 0 0 0 1.3747 4.2733 3.6880 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5858 2.1415 2.9267 C 0 0 1 0 0 0 0 0 0 0 0 0 0.9349 0.7303 2.4450 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.3211 -0.1099 2.1376 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.1246 -0.4319 3.4011 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0363 -1.3772 1.2682 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.2866 -1.1255 0.4990 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.1330 0.3674 0.8710 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.4834 1.0542 0.9152 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.8861 1.5430 -0.4837 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.1200 0.5131 -1.6515 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.5689 0.7428 -2.1616 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0067 -0.9896 -1.2894 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.5825 -1.4824 -0.9542 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.5723 -2.9174 -1.0142 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5407 -1.0071 -1.9747 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.6874 0.4309 -2.4782 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.1314 0.8002 -2.8222 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.5182 0.0511 -3.9773 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4613 2.4557 2.7524 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5870 3.1417 1.0399 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5684 4.9205 1.0922 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2320 3.3355 0.3591 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7304 4.1884 -0.0153 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4206 2.5529 3.9680 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1639 4.8366 3.7633 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0131 2.0876 3.8608 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0872 2.6367 2.2164 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5440 0.2220 3.2028 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5566 0.7995 1.5442 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4814 -0.8816 4.1653 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9400 -1.1364 3.2110 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5759 0.4704 3.8251 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9393 -1.2767 0.6558 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0916 -2.3283 1.8063 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0987 -1.5999 1.0802 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4519 0.9328 0.2260 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2636 0.4116 1.3381 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4175 1.9300 1.5718 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8029 2.1316 -0.3397 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1447 2.2877 -0.8034 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8346 0.0597 -2.9758 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2949 0.5824 -1.3559 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6977 1.7657 -2.5337 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3735 -1.5926 -2.1335 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7007 -1.2292 -0.4720 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3565 -3.2459 -0.5421 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4756 -1.1551 -1.5919 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6013 -1.6651 -2.8540 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2781 1.1398 -1.7568 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0617 0.5349 -3.3743 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1818 1.8587 -3.1048 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8914 0.2582 -4.6914 H 0 0 0 0 0 0 0 0 0 0 0 0 15 14 1 0 0 0 0 12 13 1 0 0 0 0 11 12 1 0 0 0 0 14 13 1 0 0 0 0 12 8 1 0 0 0 0 8 7 1 1 0 0 0 8 10 1 0 0 0 0 7 6 1 0 0 0 0 10 11 1 0 0 0 0 6 4 1 0 0 0 0 18 20 1 0 0 0 0 4 2 1 0 0 0 0 18 17 1 0 0 0 0 2 1 2 3 0 0 0 20 21 1 0 0 0 0 2 3 1 0 0 0 0 21 22 1 0 0 0 0 18 19 1 1 0 0 0 22 15 1 0 0 0 0 15 16 1 6 0 0 0 15 17 1 0 0 0 0 22 23 1 0 0 0 0 18 11 1 0 0 0 0 8 9 1 0 0 0 0 4 5 1 0 0 0 0 11 40 1 1 0 0 0 12 41 1 6 0 0 0 10 38 1 0 0 0 0 10 39 1 0 0 0 0 20 52 1 0 0 0 0 20 53 1 0 0 0 0 21 54 1 0 0 0 0 21 55 1 0 0 0 0 22 56 1 6 0 0 0 17 49 1 0 0 0 0 17 50 1 0 0 0 0 14 44 1 0 0 0 0 14 45 1 0 0 0 0 13 42 1 0 0 0 0 13 43 1 0 0 0 0 7 33 1 0 0 0 0 7 34 1 0 0 0 0 6 31 1 0 0 0 0 6 32 1 0 0 0 0 4 29 1 1 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 3 26 1 0 0 0 0 3 27 1 0 0 0 0 3 28 1 0 0 0 0 19 51 1 0 0 0 0 16 46 1 0 0 0 0 16 47 1 0 0 0 0 16 48 1 0 0 0 0 23 57 1 0 0 0 0 9 35 1 0 0 0 0 9 36 1 0 0 0 0 9 37 1 0 0 0 0 5 30 1 0 0 0 0 M END > NP0024789 > NP-MRD > [H]O[C@]([H])(C(=C([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])[C@]1(C([H])([H])[H])C([H])([H])[C@@]2([H])[C@@]1([H])C([H])([H])C([H])([H])[C@]1(C([H])([H])[H])C([H])([H])[C@@]2(O[H])C([H])([H])C([H])([H])[C@@]1([H])O[H] > InChI=1S/C20H34O3/c1-13(2)16(21)6-9-18(3)11-15-14(18)5-8-19(4)12-20(15,23)10-7-17(19)22/h14-17,21-23H,1,5-12H2,2-4H3/t14-,15+,16+,17-,18-,19-,20+/m1/s1 > ZAAFDYBTFOHBOD-GAZIBBPMSA-N > C20H34O3 > 322.489 > 322.250794955 > 3 > 57 > 37.91878187619926 > 1 > 3 > 0 > 1 > (1S,2S,4R,5R,8R,9R)-4-[(3S)-3-hydroxy-4-methylpent-4-en-1-yl]-4,8-dimethyltricyclo[6.3.1.0^{2,5}]dodecane-1,9-diol > 2.35 > 2.683059552666667 > -3.35 > 0 > 3 > 0 > 14.931969211210077 > 14.297991133818396 > -1.5028156807155453 > 60.69 > 92.26299999999999 > 4 > 1 > 1.45e-01 g/l > (1S,2S,4R,5R,8R,9R)-4-[(3S)-3-hydroxy-4-methylpent-4-en-1-yl]-4,8-dimethyltricyclo[6.3.1.0^{2,5}]dodecane-1,9-diol > 0 > NP0024789 > excogallochaol C $$$$