54454 -OEChem-03292404022D 68 70 0 1 0 0 0 0 0999 V2000 3.8660 0.5548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3232 -1.4997 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7080 -2.9695 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1340 0.5548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1719 -3.0096 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 2.0548 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6260 1.5202 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.8660 1.5548 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5321 2.0340 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7320 3.0548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6144 0.5202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 2.0548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 3.0548 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.8660 3.5548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4746 0.0102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5321 3.0756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6260 3.5895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3962 1.5307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4630 -0.9897 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.1340 3.5548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5913 -1.4796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 0.0548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5797 -2.4796 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.0000 -0.9452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4399 -2.9896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3117 -2.4996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -1.9452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.9452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 -0.9452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1340 -2.4452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4714 2.4741 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1599 1.2050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4030 1.2448 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5285 1.4140 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0051 0.6349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3956 -0.0599 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3894 2.1625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7880 1.4722 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 3.6748 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 4.1748 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0839 -0.1045 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6934 0.5904 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0678 3.3877 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6188 4.2094 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0841 0.9949 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9319 1.2186 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7082 2.0664 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0035 -0.6859 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4440 4.0918 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5970 3.8648 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8240 3.0179 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3860 -0.8946 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9795 -1.5802 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0464 -2.1634 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0359 -3.4599 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8329 -3.4691 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2120 -2.5278 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6106 -1.8375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.3252 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 -0.9452 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.5652 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 -1.5652 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6200 -0.9452 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 -0.3252 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7008 -3.5895 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8240 -1.9082 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5970 -2.7552 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4440 -2.9821 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8 1 1 1 0 0 0 1 22 1 0 0 0 0 2 19 1 0 0 0 0 2 26 1 0 0 0 0 23 3 1 6 0 0 0 3 65 1 0 0 0 0 4 22 2 0 0 0 0 5 26 2 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 10 1 0 0 0 0 6 31 1 6 0 0 0 7 9 1 0 0 0 0 7 11 1 6 0 0 0 7 32 1 0 0 0 0 8 12 1 0 0 0 0 8 33 1 0 0 0 0 9 16 1 0 0 0 0 9 18 1 6 0 0 0 9 34 1 0 0 0 0 10 14 2 0 0 0 0 10 17 1 0 0 0 0 11 15 1 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 12 13 1 0 0 0 0 12 37 1 0 0 0 0 12 38 1 0 0 0 0 13 14 1 0 0 0 0 13 20 1 1 0 0 0 13 39 1 0 0 0 0 14 40 1 0 0 0 0 19 15 1 1 0 0 0 15 41 1 0 0 0 0 15 42 1 0 0 0 0 16 17 2 0 0 0 0 16 43 1 0 0 0 0 17 44 1 0 0 0 0 18 45 1 0 0 0 0 18 46 1 0 0 0 0 18 47 1 0 0 0 0 19 21 1 0 0 0 0 19 48 1 0 0 0 0 20 49 1 0 0 0 0 20 50 1 0 0 0 0 20 51 1 0 0 0 0 21 23 1 0 0 0 0 21 52 1 0 0 0 0 21 53 1 0 0 0 0 22 24 1 0 0 0 0 23 25 1 0 0 0 0 23 54 1 0 0 0 0 24 27 1 0 0 0 0 24 28 1 0 0 0 0 24 29 1 0 0 0 0 25 26 1 0 0 0 0 25 55 1 0 0 0 0 25 56 1 0 0 0 0 27 30 1 0 0 0 0 27 57 1 0 0 0 0 27 58 1 0 0 0 0 28 59 1 0 0 0 0 28 60 1 0 0 0 0 28 61 1 0 0 0 0 29 62 1 0 0 0 0 29 63 1 0 0 0 0 29 64 1 0 0 0 0 30 66 1 0 0 0 0 30 67 1 0 0 0 0 30 68 1 0 0 0 0 M END > 54454 > 1 > 706 > 5 > 1 > 7 > AAADcfB4OAAAAAAAAAAAAAAAAAAAAAAAAAAkQIAAAAAAAACAAAAAGgAACAAADxSggAICCAAABgCIAiDSCAAAAAAgAAAICAEAAAgIEBYAAQACQAAF4AAIgAOIzPDPgAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > [(1S,3R,7S,8S,8aR)-8-[2-[(2R,4R)-4-hydroxy-6-oxo-tetrahydropyran-2-yl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2,2-dimethylbutanoate > 2,2-dimethylbutanoic acid [(1S,3R,7S,8S,8aR)-8-[2-[(2R,4R)-4-hydroxy-6-oxo-2-oxanyl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] ester > [(1S,3R,7S,8S,8aR)-8-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2,2-dimethylbutanoate > [(1S,3R,7S,8S,8aR)-8-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2,2-dimethylbutanoate > [(1S,3R,7S,8S,8aR)-3,7-dimethyl-8-[2-[(2R,4R)-4-oxidanyl-6-oxidanylidene-oxan-2-yl]ethyl]-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2,2-dimethylbutanoate > 2,2-dimethylbutyric acid [(1S,3R,7S,8S,8aR)-8-[2-[(2R,4R)-4-hydroxy-6-keto-tetrahydropyran-2-yl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] ester > InChI=1S/C25H38O5/c1-6-25(4,5)24(28)30-21-12-15(2)11-17-8-7-16(3)20(23(17)21)10-9-19-13-18(26)14-22(27)29-19/h7-8,11,15-16,18-21,23,26H,6,9-10,12-14H2,1-5H3/t15-,16-,18+,19+,20-,21-,23-/m0/s1 > RYMZZMVNJRMUDD-HGQWONQESA-N > 4.7 > 418.27192431 > C25H38O5 > 418.6 > CCC(C)(C)C(=O)OC1CC(C=C2C1C(C(C=C2)C)CCC3CC(CC(=O)O3)O)C > CCC(C)(C)C(=O)O[C@H]1C[C@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@@H]3C[C@H](CC(=O)O3)O)C > 72.8 > 418.27192431 > 0 > 30 > 7 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 8 1 5 13 20 5 19 15 5 23 3 6 6 31 6 7 11 6 9 18 6 $$$$