6480205 -OEChem-05132416392D 63 66 0 1 0 0 0 0 0999 V2000 5.2433 3.4491 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1615 1.8731 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7164 -1.8361 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.8950 -2.4766 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5646 -0.8056 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6407 -0.4230 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.5728 -2.4183 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.9326 -2.0780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8046 -1.0442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2506 -3.4491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2580 0.5009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2855 -3.4131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6407 1.4248 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4884 -0.4230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1063 -3.0915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7168 -0.0403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5646 1.8075 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.9971 2.1824 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5134 -2.0788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8711 0.5009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4884 1.4248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5172 3.0295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4840 2.7983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.1056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2777 -2.7237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6898 -1.0945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1956 2.1319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4366 -1.3846 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3040 -1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6503 -1.8031 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3134 -2.0478 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7969 -2.6829 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5254 -0.4907 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2114 -1.2246 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6492 -3.5996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3372 -4.0630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7661 0.8784 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7661 0.1235 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2418 -4.0315 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8959 -3.5215 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2417 0.8238 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5694 -1.0376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1032 -0.5039 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7251 -2.6025 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6174 -3.4727 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4875 -3.5804 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9541 0.5325 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1440 0.1970 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4796 -0.6131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2516 2.3080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7586 1.6101 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4911 0.5009 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7240 3.6140 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9577 3.2966 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9524 2.7238 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3818 2.0581 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0476 1.4875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8778 -3.1976 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7515 -3.1236 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6775 -2.2499 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2730 -0.8840 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2159 -0.6947 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0351 2.7308 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 23 2 0 0 0 0 2 27 2 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 7 1 0 0 0 0 3 28 1 1 0 0 0 4 8 1 0 0 0 0 4 10 1 0 0 0 0 4 15 1 6 0 0 0 5 6 1 0 0 0 0 5 14 1 0 0 0 0 5 29 1 6 0 0 0 6 9 1 0 0 0 0 6 11 1 0 0 0 0 6 16 1 1 0 0 0 7 12 1 0 0 0 0 7 19 1 1 0 0 0 7 30 1 0 0 0 0 8 9 1 0 0 0 0 8 31 1 0 0 0 0 8 32 1 0 0 0 0 9 33 1 0 0 0 0 9 34 1 0 0 0 0 10 12 1 0 0 0 0 10 35 1 0 0 0 0 10 36 1 0 0 0 0 11 13 1 0 0 0 0 11 37 1 0 0 0 0 11 38 1 0 0 0 0 12 39 1 0 0 0 0 12 40 1 0 0 0 0 13 17 1 0 0 0 0 13 18 1 0 0 0 0 13 41 1 6 0 0 0 14 20 1 0 0 0 0 14 42 1 0 0 0 0 14 43 1 0 0 0 0 15 44 1 0 0 0 0 15 45 1 0 0 0 0 15 46 1 0 0 0 0 16 47 1 0 0 0 0 16 48 1 0 0 0 0 16 49 1 0 0 0 0 17 21 1 0 0 0 0 17 23 1 0 0 0 0 17 50 1 6 0 0 0 18 22 1 0 0 0 0 18 24 1 1 0 0 0 18 51 1 0 0 0 0 19 25 1 0 0 0 0 19 26 2 0 0 0 0 20 21 2 0 0 0 0 20 52 1 0 0 0 0 21 27 1 0 0 0 0 22 23 1 0 0 0 0 22 53 1 0 0 0 0 22 54 1 0 0 0 0 24 55 1 0 0 0 0 24 56 1 0 0 0 0 24 57 1 0 0 0 0 25 58 1 0 0 0 0 25 59 1 0 0 0 0 25 60 1 0 0 0 0 26 61 1 0 0 0 0 26 62 1 0 0 0 0 27 63 1 0 0 0 0 M END > 6480205 > 1 > 703 > 2 > 0 > 2 > AAADcfB4MAAAAAAAAAAAAAAAAAAAAYMAAAAwAAAAAAAQAGAAAAAAGgAAAAAADwSggAICAAAAAACIAqhSgAAAAAAgAAAACAEAAEgAABIAAQAAAAAAgAAIAYMJiMCPgAAAAAAAAACAAAQAACAAAQAACAAAAA== > (1R,3S,4S,7R,8E,11S,12S,13S,16S)-13-isopropenyl-1,4,16-trimethyl-6-oxo-tetracyclo[9.7.0.03,7.012,16]octadec-8-ene-8-carbaldehyde > (1R,3S,4S,7R,8E,11S,12S,13S,16S)-1,4,16-trimethyl-13-(1-methylethenyl)-6-oxo-8-tetracyclo[9.7.0.03,7.012,16]octadec-8-enecarboxaldehyde > (1R,3S,4S,7R,8E,11S,12S,13S,16S)-1,4,16-trimethyl-6-oxo-13-prop-1-en-2-yltetracyclo[9.7.0.03,7.012,16]octadec-8-ene-8-carbaldehyde > (1R,3S,4S,7R,8E,11S,12S,13S,16S)-1,4,16-trimethyl-6-oxo-13-prop-1-en-2-yltetracyclo[9.7.0.03,7.012,16]octadec-8-ene-8-carbaldehyde > (1R,3S,4S,7R,8E,11S,12S,13S,16S)-1,4,16-trimethyl-6-oxidanylidene-13-prop-1-en-2-yl-tetracyclo[9.7.0.03,7.012,16]octadec-8-ene-8-carbaldehyde > (1R,3S,4S,7R,8E,11S,12S,13S,16S)-13-isopropenyl-6-keto-1,4,16-trimethyl-tetracyclo[9.7.0.03,7.012,16]octadec-8-ene-8-carbaldehyde > InChI=1S/C25H36O2/c1-15(2)18-8-9-24(4)10-11-25(5)13-19-16(3)12-21(27)22(19)17(14-26)6-7-20(25)23(18)24/h6,14,16,18-20,22-23H,1,7-13H2,2-5H3/b17-6-/t16-,18+,19-,20-,22-,23-,24-,25+/m0/s1 > XAYQASOMEVLRKN-NOJNFTMQSA-N > 6.4 > 368.271530387 > C25H36O2 > 368.6 > CC1CC(=O)C2C1CC3(CCC4(CCC(C4C3CC=C2C=O)C(=C)C)C)C > C[C@H]1CC(=O)[C@@H]/2[C@H]1C[C@]3(CC[C@@]4(CC[C@@H]([C@H]4[C@@H]3C/C=C2/C=O)C(=C)C)C)C > 34.1 > 368.271530387 > 0 > 27 > 8 > 0 > 1 > 0 > 0 > 1 > -1 > 1 5 255 > 13 41 6 17 50 6 18 24 5 3 28 5 4 15 6 5 29 6 6 16 5 7 19 5 $$$$