65157 -OEChem-03282407422D 81 84 0 1 0 0 0 0 0999 V2000 8.6500 -0.8182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -5.1258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2963 -1.3563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3931 -3.0735 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.3931 -2.0735 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5271 -3.5735 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6610 -3.0735 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7510 -3.5803 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5271 -1.5735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6610 -2.0735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3393 -1.7688 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.3393 -3.3782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5431 -4.6150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9229 -2.5735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7430 -4.6219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3931 -1.0735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6451 -5.1428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8242 -3.0163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7587 -2.5804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8763 -3.5442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8076 -5.1717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8680 -4.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6285 -0.6120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9391 0.3385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9176 0.5447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2283 1.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2068 1.7014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5175 2.6520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4960 2.8582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8066 3.8087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7851 4.0149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0958 4.9654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0743 5.1717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4830 -3.9187 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2664 -3.9928 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3972 -2.6485 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9256 -1.0986 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1285 -1.0986 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4490 -1.4909 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0504 -2.1812 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9018 -1.3294 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0883 -3.9451 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8767 -3.6875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7612 -5.1954 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1523 -4.4995 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3838 -2.9882 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3838 -2.1588 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0131 -1.0735 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3931 -0.4535 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7731 -1.0735 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2478 -5.6187 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0460 -5.6156 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2324 -2.5496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4343 -2.5342 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3787 -2.5852 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7635 -1.9604 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1388 -2.5756 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6718 -2.9589 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2647 -3.6456 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8100 -5.7917 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9186 0.9582 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3253 0.4258 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9382 -0.0749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5315 0.4574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2077 2.1149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6145 1.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2274 1.0818 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8206 1.6141 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4969 3.2716 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9037 2.7393 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5165 2.2385 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1098 2.7708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7861 4.4284 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1928 3.8961 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8057 3.3953 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3990 3.9276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0752 5.5851 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4820 5.0528 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2022 4.5650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6810 5.2995 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9465 5.7783 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11 1 1 1 0 0 0 1 23 1 0 0 0 0 2 22 2 0 0 0 0 3 23 2 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 12 1 0 0 0 0 4 34 1 6 0 0 0 5 9 1 0 0 0 0 5 11 1 0 0 0 0 5 16 1 1 0 0 0 6 7 1 0 0 0 0 6 13 1 0 0 0 0 6 35 1 1 0 0 0 7 8 1 0 0 0 0 7 10 1 0 0 0 0 7 36 1 6 0 0 0 8 15 1 0 0 0 0 8 18 1 0 0 0 0 8 19 1 1 0 0 0 9 10 1 0 0 0 0 9 37 1 0 0 0 0 9 38 1 0 0 0 0 10 39 1 0 0 0 0 10 40 1 0 0 0 0 11 14 1 0 0 0 0 11 41 1 0 0 0 0 12 14 1 0 0 0 0 12 42 1 0 0 0 0 12 43 1 0 0 0 0 13 17 1 0 0 0 0 13 44 1 0 0 0 0 13 45 1 0 0 0 0 14 46 1 0 0 0 0 14 47 1 0 0 0 0 15 17 1 0 0 0 0 15 21 2 0 0 0 0 16 48 1 0 0 0 0 16 49 1 0 0 0 0 16 50 1 0 0 0 0 17 51 1 0 0 0 0 17 52 1 0 0 0 0 18 20 1 0 0 0 0 18 53 1 0 0 0 0 18 54 1 0 0 0 0 19 55 1 0 0 0 0 19 56 1 0 0 0 0 19 57 1 0 0 0 0 20 22 1 0 0 0 0 20 58 1 0 0 0 0 20 59 1 0 0 0 0 21 22 1 0 0 0 0 21 60 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 24 61 1 0 0 0 0 24 62 1 0 0 0 0 25 26 1 0 0 0 0 25 63 1 0 0 0 0 25 64 1 0 0 0 0 26 27 1 0 0 0 0 26 65 1 0 0 0 0 26 66 1 0 0 0 0 27 28 1 0 0 0 0 27 67 1 0 0 0 0 27 68 1 0 0 0 0 28 29 1 0 0 0 0 28 69 1 0 0 0 0 28 70 1 0 0 0 0 29 30 1 0 0 0 0 29 71 1 0 0 0 0 29 72 1 0 0 0 0 30 31 1 0 0 0 0 30 73 1 0 0 0 0 30 74 1 0 0 0 0 31 32 1 0 0 0 0 31 75 1 0 0 0 0 31 76 1 0 0 0 0 32 33 1 0 0 0 0 32 77 1 0 0 0 0 32 78 1 0 0 0 0 33 79 1 0 0 0 0 33 80 1 0 0 0 0 33 81 1 0 0 0 0 M END > 65157 > 1 > 739 > 3 > 0 > 11 > AAADcfB4MAAAAAAAAAAAAAAAAAAAAYAAAAAwYIAAAAAAAGDAAAAAGgAAAAAADxSggAICCAAABACIAqDSCAAAAAAgAAAACAEAAEgAABIAAQACAAAEgAAIAQOIyPCPgAAAAAAAAACAAAQAACAAAIAADAAAAA== > [(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] undecanoate > undecanoic acid [(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] ester > [(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] undecanoate > [(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] undecanoate > [(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxidanylidene-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] undecanoate > undecanoic acid [(8R,9S,10R,13S,14S,17S)-3-keto-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] ester > InChI=1S/C30H48O3/c1-4-5-6-7-8-9-10-11-12-28(32)33-27-16-15-25-24-14-13-22-21-23(31)17-19-29(22,2)26(24)18-20-30(25,27)3/h21,24-27H,4-20H2,1-3H3/t24-,25-,26-,27-,29-,30-/m0/s1 > UDSFVOAUHKGBEK-CNQKSJKFSA-N > 8.5 > 456.36034539 > C30H48O3 > 456.7 > CCCCCCCCCCC(=O)OC1CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C > CCCCCCCCCCC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C > 43.4 > 456.36034539 > 0 > 33 > 6 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 11 1 5 4 34 6 5 16 5 6 35 5 7 36 6 8 19 5 $$$$