70678813 -OEChem-03192405002D 64 64 0 0 0 0 0 0 0999 V2000 15.9904 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 -0.6340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4641 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3301 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1962 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1962 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0622 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9282 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7942 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6603 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5263 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5263 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3923 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2583 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1244 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3894 -2.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7880 -3.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4675 -3.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2646 -3.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9441 -3.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3426 -2.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.8800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 -1.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0369 -0.3240 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1900 -0.0970 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9631 -0.9440 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3291 0.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9081 -1.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1350 -0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2881 -0.4631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2690 0.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1760 2.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3291 2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5560 1.4631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 2.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4641 0.8800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3301 2.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5762 0.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1962 -0.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8162 0.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0622 2.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9282 0.8800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7942 2.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6603 0.8800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1463 3.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5263 3.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9063 3.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3923 0.8800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2583 2.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1244 0.8800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 28 2 0 0 0 0 2 3 1 0 0 0 0 2 5 1 0 0 0 0 2 8 1 0 0 0 0 2 9 1 0 0 0 0 3 4 1 0 0 0 0 3 29 1 0 0 0 0 3 30 1 0 0 0 0 4 6 1 0 0 0 0 4 31 1 0 0 0 0 4 32 1 0 0 0 0 5 7 2 0 0 0 0 5 10 1 0 0 0 0 6 7 1 0 0 0 0 6 33 1 0 0 0 0 6 34 1 0 0 0 0 7 11 1 0 0 0 0 8 35 1 0 0 0 0 8 36 1 0 0 0 0 8 37 1 0 0 0 0 9 38 1 0 0 0 0 9 39 1 0 0 0 0 9 40 1 0 0 0 0 10 12 2 0 0 0 0 10 41 1 0 0 0 0 11 42 1 0 0 0 0 11 43 1 0 0 0 0 11 44 1 0 0 0 0 12 13 1 0 0 0 0 12 45 1 0 0 0 0 13 14 1 0 0 0 0 13 15 2 0 0 0 0 14 46 1 0 0 0 0 14 47 1 0 0 0 0 14 48 1 0 0 0 0 15 16 1 0 0 0 0 15 49 1 0 0 0 0 16 17 2 0 0 0 0 16 50 1 0 0 0 0 17 18 1 0 0 0 0 17 51 1 0 0 0 0 18 19 1 0 0 0 0 18 20 2 0 0 0 0 19 52 1 0 0 0 0 19 53 1 0 0 0 0 19 54 1 0 0 0 0 20 21 1 0 0 0 0 20 55 1 0 0 0 0 21 22 2 0 0 0 0 21 56 1 0 0 0 0 22 23 1 0 0 0 0 22 57 1 0 0 0 0 23 24 2 0 0 0 0 23 58 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 25 59 1 0 0 0 0 25 60 1 0 0 0 0 25 61 1 0 0 0 0 26 27 2 0 0 0 0 26 62 1 0 0 0 0 27 28 1 0 0 0 0 27 63 1 0 0 0 0 28 64 1 0 0 0 0 M END > 70678813 > 1 > 771 > 1 > 0 > 8 > AAADcfB4IAAAAAAAAAAAAAAAAAAAAAAAAAAgAAAAAAAAAAAAAAAAGgAAAAAADgCggAICAAAAAACIAihSgAAAAAAgAAAICAAAAEgIAAIAAQAAAAAAgAAIgYMAgMAPAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > (2E,4E,6E,8E,10E,12Z,14E)-4,9,13-trimethyl-15-(2,6,6-trimethylcyclohexen-1-yl)pentadeca-2,4,6,8,10,12,14-heptaenal > (2E,4E,6E,8E,10E,12Z,14E)-4,9,13-trimethyl-15-(2,6,6-trimethyl-1-cyclohexenyl)pentadeca-2,4,6,8,10,12,14-heptaenal > (2E,4E,6E,8E,10E,12Z,14E)-4,9,13-trimethyl-15-(2,6,6-trimethylcyclohexen-1-yl)pentadeca-2,4,6,8,10,12,14-heptaenal > (2E,4E,6E,8E,10E,12Z,14E)-4,9,13-trimethyl-15-(2,6,6-trimethylcyclohexen-1-yl)pentadeca-2,4,6,8,10,12,14-heptaenal > (2E,4E,6E,8E,10E,12Z,14E)-4,9,13-trimethyl-15-(2,6,6-trimethylcyclohexen-1-yl)pentadeca-2,4,6,8,10,12,14-heptaenal > (2E,4E,6E,8E,10E,12Z,14E)-4,9,13-trimethyl-15-(2,6,6-trimethylcyclohexen-1-yl)pentadeca-2,4,6,8,10,12,14-heptaenal > InChI=1S/C27H36O/c1-22(12-7-8-13-23(2)16-11-21-28)14-9-15-24(3)18-19-26-25(4)17-10-20-27(26,5)6/h7-9,11-16,18-19,21H,10,17,20H2,1-6H3/b8-7+,14-9+,16-11+,19-18+,22-12+,23-13+,24-15- > PJEHRCCPERVGEC-OLTPUEGQSA-N > 8.4 > 376.276615768 > C27H36O > 376.6 > CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=O)C)C > CC1=C(C(CCC1)(C)C)/C=C/C(=C\C=C\C(=C\C=C\C=C(/C)\C=C\C=O)\C)/C > 17.1 > 376.276615768 > 0 > 28 > 0 > 0 > 7 > 0 > 0 > 1 > -1 > 1 5 255 $$$$