23671691 -OEChem-03292400502D 56 58 0 1 0 0 0 0 0999 V2000 12.5951 1.7644 0.0000 K 0 3 0 0 0 0 0 0 0 0 0 0 8.0319 1.7735 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.5352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7851 1.1780 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 10.7694 2.5810 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3931 0.5171 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3931 -0.4829 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5271 -0.9829 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3393 0.8219 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6610 -0.4829 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5271 1.0171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3393 -0.7876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6610 0.5171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9229 0.0171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7510 -0.9897 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.3931 1.5171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1493 1.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5431 -2.0244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7430 -2.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8242 -0.4256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7587 0.0103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6451 -2.5521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0622 0.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8763 -0.9536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8076 -2.5810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8680 -2.0385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8722 1.5863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4830 -1.3281 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2664 -1.4022 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3972 -0.0579 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9256 1.4921 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1285 1.4921 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0883 -1.3545 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8767 -1.0968 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4490 1.0998 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0504 0.4095 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3838 -0.3976 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3838 0.4319 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0131 1.5171 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3931 2.1371 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7731 1.5171 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4969 1.9217 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7041 1.8397 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0836 -2.3281 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2324 0.0410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4343 0.0564 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3787 0.0055 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7635 0.6302 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1388 0.0150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6475 -3.1721 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4476 2.2335 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7146 0.4865 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5074 0.5685 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6718 -0.3683 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2647 -1.0550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8100 -3.2010 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9 2 1 1 0 0 0 2 51 1 0 0 0 0 3 26 2 0 0 0 0 4 27 1 0 0 0 0 5 27 2 0 0 0 0 6 7 1 0 0 0 0 6 9 1 0 0 0 0 6 11 1 0 0 0 0 6 16 1 1 0 0 0 7 8 1 0 0 0 0 7 12 1 0 0 0 0 7 28 1 6 0 0 0 8 10 1 0 0 0 0 8 18 1 0 0 0 0 8 29 1 1 0 0 0 9 14 1 0 0 0 0 9 17 1 0 0 0 0 10 13 1 0 0 0 0 10 15 1 0 0 0 0 10 30 1 6 0 0 0 11 13 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 12 14 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 15 19 1 0 0 0 0 15 20 1 0 0 0 0 15 21 1 1 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 16 41 1 0 0 0 0 17 23 1 0 0 0 0 17 42 1 0 0 0 0 17 43 1 0 0 0 0 18 22 2 0 0 0 0 18 44 1 0 0 0 0 19 22 1 0 0 0 0 19 25 2 0 0 0 0 20 24 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 22 50 1 0 0 0 0 23 27 1 0 0 0 0 23 52 1 0 0 0 0 23 53 1 0 0 0 0 24 26 1 0 0 0 0 24 54 1 0 0 0 0 24 55 1 0 0 0 0 25 26 1 0 0 0 0 25 56 1 0 0 0 0 M CHG 2 1 1 4 -1 M END > 23671691 > 1 > 713 > 4 > 1 > 3 > AAADceB4OAAAQAAAAAAAAAAAAAAAAYAAAAAwQIAAAAAAAGCAAAAAGgAACAAAD0SAgAACCAAAAgCIAqDSCAAAAAAgAAAICAEAAEgIABIAAQAAQAAEgAAIgQPKyPCPgAAAAAAAAACAAAQAACAAAYAADAAAAA== > potassium;3-[(8R,9S,10R,13S,14S,17R)-17-hydroxy-10,13-dimethyl-3-oxo-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl]propanoate > potassium;3-[(8R,9S,10R,13S,14S,17R)-17-hydroxy-10,13-dimethyl-3-oxo-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl]propanoate > potassium;3-[(8R,9S,10R,13S,14S,17R)-17-hydroxy-10,13-dimethyl-3-oxo-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl]propanoate > potassium;3-[(8R,9S,10R,13S,14S,17R)-17-hydroxy-10,13-dimethyl-3-oxo-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl]propanoate > potassium;3-[(8R,9S,10R,13S,14S,17R)-10,13-dimethyl-17-oxidanyl-3-oxidanylidene-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl]propanoate > potassium;3-[(8R,9S,10R,13S,14S,17R)-17-hydroxy-3-keto-10,13-dimethyl-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl]propionate > InChI=1S/C22H30O4.K/c1-20-9-5-15(23)13-14(20)3-4-16-17(20)6-10-21(2)18(16)7-11-22(21,26)12-8-19(24)25;/h3-4,13,16-18,26H,5-12H2,1-2H3,(H,24,25);/q;+1/p-1/t16-,17+,18+,20+,21+,22-;/m1./s1 > JTZQCHFUGHIPDF-RYVBEKKQSA-M > 396.17029089 > C22H29KO4 > 396.6 > CC12CCC(=O)C=C1C=CC3C2CCC4(C3CCC4(CCC(=O)[O-])O)C.[K+] > C[C@]12CCC(=O)C=C1C=C[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@]4(CCC(=O)[O-])O)C.[K+] > 77.4 > 396.17029089 > 0 > 27 > 6 > 0 > 0 > 0 > 0 > 2 > -1 > 1 4 7 > 1 5 255 > 10 30 6 15 21 5 9 2 5 6 16 5 7 28 6 8 29 5 $$$$