26 29 0 0001 0 0 0 0 0999 V2000 6.7313 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0.0000 -6.4973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 5.6244 -4.5445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 6.7493 -3.8966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 4.5085 -3.8966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 6.7493 -2.6007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 3.3836 -4.5445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 7.8651 -1.9528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 4.5085 -2.6007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 5.6244 -5.8404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 5.6244 -1.9528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 3.3836 -5.8404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 8.9900 -3.8966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 8.9900 -2.6007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 4.5085 -6.4793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 2.2678 -3.8966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 6.7763 -1.3049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 3.3836 -3.2126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 7.8741 -0.6569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 2.2678 -6.4793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 1.1429 -4.5445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 1.1429 -5.8404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 8.9990 -0.0180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 5.6784 -3.2486 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 6.7763 -5.1924 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 4.5085 -5.1924 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 1 19 2 0 2 22 2 0 3 4 1 0 3 5 1 0 3 10 1 0 3 24 1 1 4 6 1 0 4 13 1 0 4 25 1 6 5 7 1 0 5 9 1 0 5 26 1 6 6 8 1 0 6 11 1 0 6 17 1 1 7 12 1 0 7 16 1 0 7 18 1 1 8 14 1 0 8 19 1 1 9 11 1 0 10 15 1 0 12 15 1 0 12 20 2 0 13 14 1 0 16 21 2 0 19 23 1 0 20 22 1 0 21 22 1 0 M END > InChI=1S/C21H28O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h8,10,12,16-19H,4-7,9,11H2,1-3H3/t16-,17+,18-,19-,20-,21+/m0/s1 > QIEPWCSVQYUPIY-LEKSSAKUSA-N > 1/0/N:23,18,17,15,10,14,13,21,9,16,11,20,19,12,22,3,8,4,5,7,6,1,2/it:im/rA:26cOOCCCCCCCCCCCCCCCCCCCCCHHH/rB:;;s3;s3;s4;s5;s6;s5;s3;s6s9;s7;s4;s8s13;s10s12;s7;P6;P7;d1P8;d12;d16;d2s20s21;s19;P3;N4;N5;/rC:6.7313,0,0;0,-6.4973,0;5.6244,-4.5445,0;6.7493,-3.8966,0;4.5085,-3.8966,0;6.7493,-2.6007,0;3.3836,-4.5445,0;7.8651,-1.9528,0;4.5085,-2.6007,0;5.6244,-5.8404,0;5.6244,-1.9528,0;3.3836,-5.8404,0;8.99,-3.8966,0;8.99,-2.6007,0;4.5085,-6.4793,0;2.2678,-3.8966,0;6.7763,-1.3049,0;3.3836,-3.2126,0;7.8741,-.6569,0;2.2678,-6.4793,0;1.1429,-4.5445,0;1.1429,-5.8404,0;8.999,-.018,0;5.6784,-3.2486,0;6.7763,-5.1924,0;4.5085,-5.1924,0; > C21 H28 O2 > 312.4458 > O=C(C)[C@H]1CC[C@]2([H])[C@]1(C)CC[C@]1([H])[C@@]3(C)C=CC(C=C3CC[C@@]21[H])=O > 217055 $$$$