28 32 0 0001 0 0 0 0 0999 V2000 8.9214 -2.2489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 9.2545 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0.0000 -7.4684 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 6.6725 -4.8864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 5.6175 -5.5527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 6.6725 -3.6370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 4.4977 -4.8864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 7.8664 -2.9707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 3.3687 -5.5527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 8.9214 -4.8864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 5.6175 -2.9707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 4.4977 -3.6370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 8.9214 -3.6370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 5.6175 -6.8761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 3.3687 -6.8113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 6.8113 -2.2489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 6.0802 -2.1841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 4.4977 -7.4684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 2.2489 -4.8864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 3.3687 -4.2293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 8.5234 -0.9902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 7.2093 -0.9902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 2.2489 -7.4684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 1.1198 -5.5527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 1.1198 -6.8113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 6.6725 -6.2098 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 5.6175 -4.2293 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 4.4977 -6.2098 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 8 1 1 1 1 21 1 0 2 21 2 0 3 25 2 0 4 5 1 0 4 6 1 0 4 10 1 0 4 26 1 6 5 7 1 0 5 14 1 0 5 27 1 1 6 8 1 0 6 11 1 0 6 17 1 1 7 9 1 0 7 12 1 0 7 28 1 6 8 13 1 0 8 16 1 6 9 15 1 0 9 19 1 0 9 20 1 1 10 13 1 0 11 12 1 0 14 18 2 0 15 18 1 0 15 23 2 0 16 22 1 0 19 24 1 0 21 22 1 0 23 25 1 0 24 25 1 0 M END > InChI=1S/C22H28O3/c1-20-9-5-15(23)13-14(20)3-4-16-17(20)6-10-21(2)18(16)7-11-22(21)12-8-19(24)25-22/h3-4,13,16-18H,5-12H2,1-2H3/t16-,17+,18+,20+,21+,22-/m1/s1 > UJVLDDZCTMKXJK-WNHSNXHDSA-N > 1/0/N:20,17,18,14,24,12,10,22,19,11,13,16,23,15,25,5,7,4,21,9,6,8,3,2,1/it:im/rA:28cOOOCCCCCCCCCCCCCCCCCCCCCCHHH/rB:;;;s4;s4;s5;p1s6;s7;s4;s6;s7s11;s8s10;s5;s9;N8;P6;d14s15;s9;P9;s1d2;s16s21;d15;s19;d3s23s24;N4;P5;N7;/rC:8.9214,-2.2489,0;9.2545,0,0;0,-7.4684,0;6.6725,-4.8864,0;5.6175,-5.5527,0;6.6725,-3.637,0;4.4977,-4.8864,0;7.8664,-2.9707,0;3.3687,-5.5527,0;8.9214,-4.8864,0;5.6175,-2.9707,0;4.4977,-3.637,0;8.9214,-3.637,0;5.6175,-6.8761,0;3.3687,-6.8113,0;6.8113,-2.2489,0;6.0802,-2.1841,0;4.4977,-7.4684,0;2.2489,-4.8864,0;3.3687,-4.2293,0;8.5234,-.9902,0;7.2093,-.9902,0;2.2489,-7.4684,0;1.1198,-5.5527,0;1.1198,-6.8113,0;6.6725,-6.2098,0;5.6175,-4.2293,0;4.4977,-6.2098,0; > C22 H28 O3 > 340.4559 > O1C(CC[C@]21CC[C@]1([H])[C@]2(C)CC[C@]2([H])[C@@]3(C)CCC(C=C3C=C[C@@]12[H])=O)=O > 13192 $$$$