53486336 -OEChem-03292402102D 62 63 0 1 0 0 0 0 0999 V2000 9.7538 2.4920 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 10.4610 4.0731 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 11.3348 1.7848 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 5.0182 -1.2089 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.0319 0.2814 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7950 -0.4749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0622 -0.4921 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8566 1.4973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.0272 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6510 3.4867 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 10.7485 2.5948 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 8.7590 2.3892 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3931 -0.9749 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3931 -1.9749 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.5271 -2.4749 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.6610 -1.9749 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3393 -0.6702 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3393 -2.2796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5271 -0.4749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9229 -1.4749 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6610 -0.9749 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.7510 -2.4818 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5431 -3.5164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3931 0.0251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6451 -4.0442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7430 -3.5234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1493 -0.0838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9229 -1.4749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4163 -1.5394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8242 -1.9177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8076 -4.0731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0465 0.9109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8763 -2.4456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8680 -3.5306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4587 -2.5914 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0664 -2.7808 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0883 -2.8466 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8767 -2.5889 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9256 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1285 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2046 -2.0272 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6610 -0.3549 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7612 -4.0968 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1523 -3.4009 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0131 0.0251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3931 0.6451 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7731 0.0251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2478 -4.5201 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0460 -4.5171 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9229 -2.0949 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5429 -1.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9229 -0.8549 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0005 -1.3319 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2087 -0.9552 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8320 -1.7470 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4476 0.7414 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8361 -1.2978 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7950 0.1451 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8100 -4.6931 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7757 1.4686 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4502 0.7410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3430 -2.1294 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 10 1 0 0 0 0 1 11 1 0 0 0 0 1 12 2 0 0 0 0 16 4 1 6 0 0 0 17 5 1 6 0 0 0 5 56 1 0 0 0 0 6 21 1 0 0 0 0 6 58 1 0 0 0 0 7 27 2 0 0 0 0 8 32 1 0 0 0 0 9 34 2 0 0 0 0 13 14 1 0 0 0 0 13 17 1 0 0 0 0 13 19 1 0 0 0 0 13 24 1 1 0 0 0 14 15 1 0 0 0 0 14 18 1 0 0 0 0 14 35 1 0 0 0 0 15 16 1 0 0 0 0 15 23 1 0 0 0 0 15 36 1 0 0 0 0 16 21 1 0 0 0 0 16 22 1 0 0 0 0 17 20 1 0 0 0 0 17 27 1 0 0 0 0 18 20 1 0 0 0 0 18 37 1 0 0 0 0 18 38 1 0 0 0 0 19 21 1 0 0 0 0 19 39 1 0 0 0 0 19 40 1 0 0 0 0 20 28 1 6 0 0 0 20 41 1 0 0 0 0 21 42 1 0 0 0 0 22 26 1 0 0 0 0 22 29 1 1 0 0 0 22 30 1 0 0 0 0 23 25 1 0 0 0 0 23 43 1 0 0 0 0 23 44 1 0 0 0 0 24 45 1 0 0 0 0 24 46 1 0 0 0 0 24 47 1 0 0 0 0 25 26 1 0 0 0 0 25 48 1 0 0 0 0 25 49 1 0 0 0 0 26 31 2 0 0 0 0 27 32 1 0 0 0 0 28 50 1 0 0 0 0 28 51 1 0 0 0 0 28 52 1 0 0 0 0 29 53 1 0 0 0 0 29 54 1 0 0 0 0 29 55 1 0 0 0 0 30 33 2 0 0 0 0 30 57 1 0 0 0 0 31 34 1 0 0 0 0 31 59 1 0 0 0 0 32 60 1 0 0 0 0 32 61 1 0 0 0 0 33 34 1 0 0 0 0 33 62 1 0 0 0 0 M CHG 4 2 1 3 1 10 -1 11 -1 M END > 53486336 > 1 > 962 > 9 > 2 > 3 > AAADceB4PTIAAAAAAAAAAAAAAAAAAYAAAAAwYIAAAAAAAGDAAAAAGwAACCAAD1SggAICAAAAAxCIQqBSAIIAAAAgAAAICAFAAEgAEBIAAQAAQAAFgAAIAYPIzPDPgAAAAAAAAADAAAYAADAAAYAADAAAAA== > disodium;[2-[(9R,10S,13S,16R,17R)-9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] phosphate > disodium;[2-[(9R,10S,13S,16R,17R)-9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] phosphate > disodium;[2-[(9R,10S,13S,16R,17R)-9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] phosphate > disodium;[2-[(9R,10S,13S,16R,17R)-9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] phosphate > disodium;[2-[(9R,10S,13S,16R,17R)-9-fluoranyl-10,13,16-trimethyl-11,17-bis(oxidanyl)-3-oxidanylidene-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxidanylidene-ethyl] phosphate > disodium;[2-[(9R,10S,13S,16R,17R)-9-fluoro-11,17-dihydroxy-3-keto-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-keto-ethyl] phosphate > InChI=1S/C22H30FO8P.2Na/c1-12-8-16-15-5-4-13-9-14(24)6-7-19(13,2)21(15,23)17(25)10-20(16,3)22(12,27)18(26)11-31-32(28,29)30;;/h6-7,9,12,15-17,25,27H,4-5,8,10-11H2,1-3H3,(H2,28,29,30);;/q;2*+1/p-2/t12-,15?,16?,17?,19+,20+,21+,22+;;/m1../s1 > PLCQGRYPOISRTQ-XAFXOLSFSA-L > 516.13012157 > C22H28FNa2O8P > 516.4 > CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)COP(=O)([O-])[O-])O)C)O)F)C.[Na+].[Na+] > C[C@@H]1CC2C3CCC4=CC(=O)C=C[C@@]4([C@]3(C(C[C@@]2([C@]1(C(=O)COP(=O)([O-])[O-])O)C)O)F)C.[Na+].[Na+] > 147 > 516.13012157 > 0 > 34 > 5 > 3 > 0 > 0 > 0 > 3 > -1 > 1 5 255 > 13 24 5 14 18 3 15 23 3 20 28 6 22 29 5 16 4 6 17 5 6 21 6 3 $$$$