60148430 -OEChem-05042412512D 63 65 0 1 0 0 0 0 0999 V2000 7.7538 7.1851 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 4.3017 10.5782 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 3.0182 3.4842 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.0319 4.9745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7950 4.2182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 4.2010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8566 6.1904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.6658 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6510 8.1798 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7485 7.2879 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7590 7.0823 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3931 3.7182 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.3931 2.7182 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.5271 2.2182 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.6610 2.7182 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3393 4.0229 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3393 2.4134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5271 4.2182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9229 3.2182 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.6610 3.7182 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.7510 2.2113 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5431 1.1767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3931 4.7182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6451 0.6489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7430 1.1697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1493 4.6093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9229 3.2182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4163 3.1536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8242 2.7754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8076 0.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0465 5.6040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8763 2.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8679 1.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4587 2.1016 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0664 1.9123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0883 1.8465 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8767 2.1042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9256 4.6931 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1285 4.6931 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2046 2.6659 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6610 4.3382 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7612 0.5963 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1523 1.2922 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0131 4.7182 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3931 5.3382 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7731 4.7182 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2478 0.1729 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0460 0.1760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9229 2.5982 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5429 3.2182 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9229 3.8382 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0005 3.3612 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2087 3.7378 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8320 2.9461 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4476 5.4345 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8361 3.3953 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7950 4.8382 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8100 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7757 6.1617 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4502 5.4341 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3430 2.5636 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1532 8.5433 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1120 6.7857 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 9 62 1 0 0 0 0 10 63 1 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 0 0 0 0 14 15 1 0 0 0 0 14 22 1 0 0 0 0 14 35 1 0 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 1 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 1 2 1 M END > 60148430 > 1 > 973 > 9 > 4 > 4 > AAADceB4PSIAAAAAAAAAAAAAAAAAAYAAAAAwYIAAAAAAAGDAAAAAGwAACCAAD1SggAICAAAAAxCIQqBSAIIAAAAgAAAICAFAAEgAEBIAAQAAQAAFgAAIAYPIzPDPgAAAAAAAAADAAAYAADAAAYAADAAAAA== > sodium;[2-[(9R,10S,11S,13S,16S,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] dihydrogen phosphate > sodium;[2-[(9R,10S,11S,13S,16S,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] dihydrogen phosphate > sodium;[2-[(9R,10S,11S,13S,16S,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] dihydrogen phosphate > sodium;[2-[(9R,10S,11S,13S,16S,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] dihydrogen phosphate > sodium;[2-[(9R,10S,11S,13S,16S,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] dihydrogen phosphate > sodium;[2-[(9R,10S,11S,13S,16S,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] dihydrogen 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/t12-,15?,16?,17-,19-,20-,21-,22-;/m0./s1 > MQRFYYBWKRACSJ-VLLRNDHASA-N > 495.15600235 > C22H30FNaO8P+ > 495.4 > CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)COP(=O)(O)O)O)C)O)F)C.[Na+] > C[C@H]1CC2C3CCC4=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+] > 141 > 495.15600235 > 1 > 33 > 6 > 2 > 0 > 0 > 0 > 2 > -1 > 1 5 255 > 12 23 5 13 17 3 14 22 3 19 27 5 21 28 5 15 3 6 16 4 6 20 5 5 $$$$