452967 -OEChem-03282410242D 53 56 0 1 0 0 0 0 0999 V2000 7.4506 3.1551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3052 -2.4433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8128 -3.2961 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5090 0.0476 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6405 0.5433 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7330 0.0319 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7302 -1.0097 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.4845 1.2290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5302 -0.9938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1606 2.1981 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4865 1.5314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6349 -1.5260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4380 0.4176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7975 -1.5641 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.8034 0.5914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1630 2.2678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7280 1.3746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3936 0.9725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8552 -1.0263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8582 0.0587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3052 -2.4256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3052 -2.4345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7161 1.5286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9023 0.9646 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7377 -1.8597 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1103 1.7233 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8988 1.0255 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7512 -1.5731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1388 -0.8752 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1347 2.0419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9105 1.3020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2399 -2.0040 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0382 -1.9969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5335 -0.1950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0565 0.3744 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2093 1.0601 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4111 1.0715 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3428 2.8612 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6246 2.5751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9768 1.1830 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1831 1.5557 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8104 0.7621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2446 -0.9185 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6446 -1.6094 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6507 0.6430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2470 -0.0457 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7710 -2.7404 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6199 -2.9598 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8393 -2.1109 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0543 3.2961 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1051 1.0458 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9397 2.1069 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.9830 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10 1 1 6 0 0 0 1 50 1 0 0 0 0 2 22 1 0 0 0 0 2 53 1 0 0 0 0 3 22 2 0 0 0 0 4 5 1 0 0 0 0 4 8 1 0 0 0 0 4 9 1 6 0 0 0 4 13 1 0 0 0 0 5 6 1 0 0 0 0 5 11 1 0 0 0 0 5 24 1 1 0 0 0 6 7 1 0 0 0 0 6 15 1 0 0 0 0 6 18 1 6 0 0 0 7 12 1 0 0 0 0 7 14 1 0 0 0 0 7 25 1 1 0 0 0 8 10 1 0 0 0 0 8 26 1 0 0 0 0 8 27 1 0 0 0 0 9 12 1 0 0 0 0 9 28 1 0 0 0 0 9 29 1 0 0 0 0 10 16 1 0 0 0 0 10 17 1 0 0 0 0 11 16 1 0 0 0 0 11 30 1 0 0 0 0 11 31 1 0 0 0 0 12 32 1 0 0 0 0 12 33 1 0 0 0 0 13 17 1 0 0 0 0 13 34 1 0 0 0 0 13 35 1 0 0 0 0 14 19 1 0 0 0 0 14 21 1 1 0 0 0 14 22 1 0 0 0 0 15 20 1 0 0 0 0 15 36 1 0 0 0 0 15 37 1 0 0 0 0 16 38 1 0 0 0 0 16 39 1 0 0 0 0 17 23 2 0 0 0 0 18 40 1 0 0 0 0 18 41 1 0 0 0 0 18 42 1 0 0 0 0 19 20 1 0 0 0 0 19 43 1 0 0 0 0 19 44 1 0 0 0 0 20 45 1 0 0 0 0 20 46 1 0 0 0 0 21 47 1 0 0 0 0 21 48 1 0 0 0 0 21 49 1 0 0 0 0 23 51 1 0 0 0 0 23 52 1 0 0 0 0 M END > 452967 > 1 > 583 > 3 > 2 > 1 > AAADceB4MAAAAAAAAAAAAAAAAAAAAYAAAAAwYMAABgAAAADAAAAAGgAACAAAD0SAgAACCAAAAgCIAgDSCAAAAAAgAAAAAAEAAAgABBIAAQAAQAAEgAAAEAGIyPCPgAAAAAAAAADAAAYAACAAAYAAAAAAAA== > (1R,4S,5R,9S,10R,13S)-13-hydroxy-5,9-dimethyl-14-methylene-tetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid > (1R,4S,5R,9S,10R,13S)-13-hydroxy-5,9-dimethyl-14-methylene-5-tetracyclo[11.2.1.01,10.04,9]hexadecanecarboxylic acid > (1R,4S,5R,9S,10R,13S)-13-hydroxy-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid > (1R,4S,5R,9S,10R,13S)-13-hydroxy-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid > (1R,4S,5R,9S,10R,13S)-5,9-dimethyl-14-methylidene-13-oxidanyl-tetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid > (1R,4S,5R,9S,10R,13S)-13-hydroxy-5,9-dimethyl-14-methylene-tetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid > InChI=1S/C20H30O3/c1-13-11-19-9-5-14-17(2,7-4-8-18(14,3)16(21)22)15(19)6-10-20(13,23)12-19/h14-15,23H,1,4-12H2,2-3H3,(H,21,22)/t14-,15-,17+,18+,19+,20-/m0/s1 > QFVOYBUQQBFCRH-VQSWZGCSSA-N > 3.8 > 318.21949481 > C20H30O3 > 318.4 > CC12CCCC(C1CCC34C2CCC(C3)(C(=C)C4)O)(C)C(=O)O > C[C@@]12CCC[C@@]([C@H]1CC[C@]34[C@H]2CC[C@](C3)(C(=C)C4)O)(C)C(=O)O > 57.5 > 318.21949481 > 0 > 23 > 6 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 1 6 14 21 5 4 9 6 5 24 5 6 18 6 7 25 5 $$$$