5881 Marvin 12300703363D 49 52 0 0 1 0 999 V2000 2.8177 3.4240 2.7868 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6863 -4.8412 -1.0754 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3124 -0.3987 0.1857 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.1278 1.0518 -0.2512 C 0 0 2 0 0 0 0 0 0 0 0 0 0.3032 2.0917 0.8358 C 0 0 1 0 0 0 0 0 0 0 0 0 1.8508 2.1687 1.0310 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.2368 -1.5338 -0.7885 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8420 -0.3959 0.5594 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3043 0.7508 1.5115 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1302 3.5740 0.8206 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6433 1.1354 -0.5855 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6836 -1.3017 -1.1028 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0283 -2.9837 -0.1683 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8980 3.2546 1.9986 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7738 4.1619 1.9295 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2675 -0.0875 -1.0369 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7103 2.6323 -0.1983 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5346 -1.5114 -2.1560 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5276 -2.4487 -1.4737 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2678 -3.6165 0.5098 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5186 -3.5881 -0.4123 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.1981 -0.5915 1.1368 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3874 1.2980 -1.1827 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1737 1.7061 1.7529 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1298 -1.3254 1.0506 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4424 -0.3386 -0.3488 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9065 0.5499 2.5110 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3930 0.7156 1.6144 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0658 4.0356 -0.1509 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1904 3.7102 1.0516 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8047 1.9144 -1.3378 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2083 1.4335 0.3015 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7774 -3.0210 0.5632 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2757 -3.7158 -0.9235 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2533 4.1659 2.8919 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0874 5.1809 1.6915 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2268 0.0210 -1.2847 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6234 1.9597 -1.0504 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4418 3.6262 -0.5642 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7706 2.6690 0.0636 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4648 -0.5539 -2.6729 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5937 -1.7402 -2.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1615 -2.2658 -2.8533 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1665 -2.8203 -2.4348 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5793 -2.2001 -1.6561 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4747 -3.0540 1.4240 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0449 -4.6424 0.8197 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3928 -3.4866 0.2385 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5438 -4.7685 -1.5469 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 2 0 0 0 0 21 2 1 0 0 0 0 2 49 1 0 0 0 0 3 4 1 0 0 0 0 3 7 1 0 0 0 0 3 8 1 0 0 0 0 3 22 1 0 0 0 0 4 5 1 0 0 0 0 4 11 1 0 0 0 0 4 23 1 0 0 0 0 5 6 1 0 0 0 0 5 10 1 0 0 0 0 5 24 1 0 0 0 0 6 9 1 0 0 0 0 6 14 1 0 0 0 0 6 17 1 0 0 0 0 7 12 1 0 0 0 0 7 13 1 0 0 0 0 7 18 1 0 0 0 0 8 9 1 0 0 0 0 8 25 1 0 0 0 0 8 26 1 0 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 10 15 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 11 16 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 12 16 2 0 0 0 0 12 19 1 0 0 0 0 13 20 1 0 0 0 0 13 33 1 0 0 0 0 13 34 1 0 0 0 0 14 15 1 0 0 0 0 15 35 1 0 0 0 0 15 36 1 0 0 0 0 16 37 1 0 0 0 0 17 38 1 0 0 0 0 17 39 1 0 0 0 0 17 40 1 0 0 0 0 18 41 1 0 0 0 0 18 42 1 0 0 0 0 18 43 1 0 0 0 0 19 21 1 0 0 0 0 19 44 1 0 0 0 0 19 45 1 0 0 0 0 20 21 1 0 0 0 0 20 46 1 0 0 0 0 20 47 1 0 0 0 0 21 48 1 0 0 0 0 M END > 21 2 5 3 22 6 4 23 5 5 24 6 6 17 5 7 18 5 > InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h3,13-16,20H,4-11H2,1-2H3/t13-,14-,15-,16-,18-,19-/m0/s1 > FMGSKLZLMKYGDP-USOAJAOKSA-N > 1/0/N:18,17,16,11,10,15,20,8,13,9,19,12,21,4,5,3,14,7,6,2,1/it:im/rA:49cOOCCCCCCCCCCCCCCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHH/rB:;;s3;s4;s5;s3;s3;s6s8;s5;s4;s7;s7;d1s6;s10s14;s11d12;s6;s7;s12;s13;s2s19s20;s3;s4;s5;s8;s8;s9;s9;s10;s10;s11;s11;s13;s13;s15;s15;s16;s17;s17;s17;s18;s18;s18;s19;s19;s20;s20;s21;s2;/rC:2.8177,3.424,2.7868;-2.6863,-4.8412,-1.0754;.3124,-.3987,.1857;-.1278,1.0518,-.2512;.3032,2.0917,.8358;1.8508,2.1687,1.031;-.2368,-1.5338,-.7885;1.842,-.3959,.5594;2.3043,.7508,1.5115;-.1302,3.574,.8206;-1.6433,1.1354,-.5855;-1.6836,-1.3017,-1.1028;-.0283,-2.9837,-.1683;1.898,3.2546,1.9986;.7738,4.1619,1.9295;-2.2675,-.0875,-1.0369;2.7103,2.6323,-.1983;.5346,-1.5114,-2.156;-2.5276,-2.4487,-1.4737;-1.2678,-3.6165,.5098;-2.5186,-3.5881,-.4123;-.1981,-.5915,1.1368;.3874,1.298,-1.1827;-.1737,1.7061,1.7529;2.1298,-1.3254,1.0506;2.4424,-.3386,-.3488;1.9065,.5499,2.511;3.393,.7156,1.6144;.0658,4.0356,-.1509;-1.1904,3.7102,1.0516;-1.8047,1.9144,-1.3378;-2.2083,1.4335,.3015;.7774,-3.021,.5632;.2757,-3.7158,-.9235;.2533,4.1659,2.8919;1.0874,5.1809,1.6915;-3.2268,.021,-1.2847;2.6234,1.9597,-1.0504;2.4418,3.6262,-.5642;3.7706,2.669,.0636;.4648,-.5539,-2.6729;1.5937,-1.7402,-2.024;.1615,-2.2658,-2.8533;-2.1665,-2.8203,-2.4348;-3.5793,-2.2001,-1.6561;-1.4747,-3.054,1.424;-1.0449,-4.6424,.8197;-3.3928,-3.4866,.2385;-3.5438,-4.7685,-1.5469; > C19 H28 O2 > 288.4244 > O=C1C([H])([H])C([H])([H])[C@]2([H])[C@]1(C([H])([H])[H])C([H])([H])C([H])([H])[C@]1([H])[C@@]3(C([H])([H])[H])C([H])([H])C([H])([H])[C@@]([H])(C([H])([H])C3=C([H])C([H])([H])[C@]12[H])O[H] > 5670 $$$$