5388957 -OEChem-05062421302D 61 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 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 2 0 0 0 0 0 0 0 0 0 6.5271 -2.4749 0.0000 C 0 0 1 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 2 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 7.4830 -2.8201 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2664 -2.8942 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 7 1 0 0 0 0 1 9 1 0 0 0 0 1 10 1 0 0 0 0 1 11 2 0 0 0 0 15 3 1 6 0 0 0 16 4 1 6 0 0 0 4 55 1 0 0 0 0 20 5 1 1 0 0 0 5 57 1 0 0 0 0 6 26 2 0 0 0 0 7 31 1 0 0 0 0 8 33 2 0 0 0 0 12 13 1 0 0 0 0 12 16 1 0 0 0 0 12 18 1 0 0 0 0 12 23 1 1 0 0 0 13 14 1 0 0 0 0 13 17 1 0 0 0 0 13 34 1 6 0 0 0 14 15 1 0 0 0 0 14 22 1 0 0 0 0 14 35 1 1 0 0 0 15 20 1 0 0 0 0 15 21 1 0 0 0 0 16 19 1 0 0 0 0 16 26 1 0 0 0 0 17 19 1 0 0 0 0 17 36 1 0 0 0 0 17 37 1 0 0 0 0 18 20 1 0 0 0 0 18 38 1 0 0 0 0 18 39 1 0 0 0 0 19 27 1 6 0 0 0 19 40 1 0 0 0 0 20 41 1 0 0 0 0 21 25 1 0 0 0 0 21 28 1 1 0 0 0 21 29 1 0 0 0 0 22 24 1 0 0 0 0 22 42 1 0 0 0 0 22 43 1 0 0 0 0 23 44 1 0 0 0 0 23 45 1 0 0 0 0 23 46 1 0 0 0 0 24 25 1 0 0 0 0 24 47 1 0 0 0 0 24 48 1 0 0 0 0 25 30 2 0 0 0 0 26 31 1 0 0 0 0 27 49 1 0 0 0 0 27 50 1 0 0 0 0 27 51 1 0 0 0 0 28 52 1 0 0 0 0 28 53 1 0 0 0 0 28 54 1 0 0 0 0 29 32 2 0 0 0 0 29 56 1 0 0 0 0 30 33 1 0 0 0 0 30 58 1 0 0 0 0 31 59 1 0 0 0 0 31 60 1 0 0 0 0 32 33 1 0 0 0 0 32 61 1 0 0 0 0 M CHG 3 2 1 9 -1 10 -1 M END > 5388957 > 1 > 962 > 9 > 2 > 3 > AAADceB4PSIAAAAAAAAAAAAAAAAAAYAAAAAwYIAAAAAAAGDAAAAAGwAACCAAD1SggAICAAAAAxCIQqBSAIIAAAAgAAAICAFAAEgAEBIAAQAAQAAFgAAIAYPIzPDPgAAAAAAAAADAAAYAADAAAYAADAAAAA== > sodium;[2-[(8S,9R,10S,11S,13S,14S,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 > sodium;[2-[(8S,9R,10S,11S,13S,14S,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 > sodium;[2-[(8S,9R,10S,11S,13S,14S,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 > sodium;[2-[(8S,9R,10S,11S,13S,14S,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 > sodium;[2-[(8S,9R,10S,11S,13S,14S,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 > sodium;[2-[(8S,9R,10S,11S,13S,14S,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.Na/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;+1/p-2/t12-,15+,16+,17+,19+,20+,21+,22+;/m1./s1 > MQRFYYBWKRACSJ-WKSAPEMMSA-L > 493.14035229 > C22H28FNaO8P- > 493.4 > CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)COP(=O)([O-])[O-])O)C)O)F)C.[Na+] > C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)COP(=O)([O-])[O-])O)C)O)F)C.[Na+] > 147 > 493.14035229 > -1 > 33 > 8 > 0 > 0 > 0 > 0 > 2 > 6 > 1 5 255 > 12 23 5 13 34 6 14 35 5 19 27 6 21 28 5 15 3 6 16 4 6 20 5 5 $$$$