11107286 -OEChem-03292407212D 43 44 0 1 0 0 0 0 0999 V2000 3.2320 2.8163 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.2817 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7320 0.2183 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5981 -1.2817 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8660 -0.2817 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7320 -1.7817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.2817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4920 0.2529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4920 -1.8164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2320 1.0843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2320 1.0843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.2817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 -0.2609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.2183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 -1.3026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4804 -2.8163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.9503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5915 0.5682 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.3383 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3335 -2.2567 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1306 -2.2567 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 -1.1741 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 -1.8644 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8856 0.7319 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0874 0.7227 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7571 1.4828 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7571 0.6858 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7690 0.7743 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5420 1.6212 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6951 1.3943 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9781 -2.2817 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.9017 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2181 -2.2817 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0089 -0.3670 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6071 0.3228 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 0.7552 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.5283 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -0.3187 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9338 -1.6146 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8605 -2.8092 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4733 -3.4363 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1004 -2.8235 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3520 1.9503 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 2 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 8 1 0 0 0 0 2 18 1 6 0 0 0 3 5 1 0 0 0 0 3 10 1 0 0 0 0 3 11 1 1 0 0 0 4 6 1 0 0 0 0 4 9 1 0 0 0 0 4 12 1 1 0 0 0 5 7 1 0 0 0 0 5 14 1 1 0 0 0 5 19 1 0 0 0 0 6 7 1 0 0 0 0 6 20 1 0 0 0 0 6 21 1 0 0 0 0 7 22 1 0 0 0 0 7 23 1 0 0 0 0 8 13 1 0 0 0 0 8 24 1 0 0 0 0 8 25 1 0 0 0 0 9 15 2 0 0 0 0 9 16 1 0 0 0 0 10 17 1 0 0 0 0 10 26 1 0 0 0 0 10 27 1 0 0 0 0 11 28 1 0 0 0 0 11 29 1 0 0 0 0 11 30 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 12 33 1 0 0 0 0 13 15 1 0 0 0 0 13 34 1 0 0 0 0 13 35 1 0 0 0 0 14 36 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 15 39 1 0 0 0 0 16 40 1 0 0 0 0 16 41 1 0 0 0 0 16 42 1 0 0 0 0 17 43 1 0 0 0 0 M END > 11107286 > 1 > 343 > 1 > 0 > 2 > AAADceB4IAAAAAAAAAAAAAAAAAAAAAAAAAAwQAAAAAAAAACAAAAAGgAAAAAADwCggAICAAAAAACIAihSgAAAAAAgAAAACAEAAAgAABIAAQAAAAAAgAAIAAMIiMCPgAAAAAAAAACAAAQAACAAAAAAAAAAAA== > 2-[(1S,2R,4aR,8aR)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]acetaldehyde > 2-[(1S,2R,4aR,8aR)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]acetaldehyde > 2-[(1S,2R,4aR,8aR)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]acetaldehyde > 2-[(1S,2R,4aR,8aR)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]acetaldehyde > 2-[(1S,2R,4aR,8aR)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]ethanal > 2-[(1S,2R,4aR,8aR)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]acetaldehyde > InChI=1S/C16H26O/c1-12-6-5-7-14-15(12,3)9-8-13(2)16(14,4)10-11-17/h6,11,13-14H,5,7-10H2,1-4H3/t13-,14+,15+,16+/m1/s1 > MPWIIQYWQOBNKS-UGUYLWEFSA-N > 4.2 > 234.198365449 > C16H26O > 234.38 > CC1CCC2(C(C1(C)CC=O)CCC=C2C)C > C[C@@H]1CC[C@@]2([C@@H]([C@@]1(C)CC=O)CCC=C2C)C > 17.1 > 234.198365449 > 0 > 17 > 4 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 2 18 6 3 11 5 4 12 5 5 14 5 $$$$