16752 CDK 0813212310 38 42 0 0 0 0 0 0 0 0999 V2000 4.1400 -1.2392 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.6263 -0.0097 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9559 -0.6337 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3013 -0.6479 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1317 0.9934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 -3.5643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2937 2.1509 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0517 3.2653 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0993 -1.0462 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0993 -1.8712 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.3849 -2.2837 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.6703 -1.8712 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8799 -0.7948 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8799 -2.1226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3849 -0.6337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3614 -1.4587 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.6703 -1.0462 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.9196 -2.2894 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.3981 -3.1429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0993 -0.2212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6572 -3.5784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9130 -3.1487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5482 -0.3110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1864 -1.4587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6434 -1.5119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1550 -1.8240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1413 -3.6022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4634 0.5096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3729 -2.2595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3661 -3.1546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0469 1.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7151 2.2978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6303 3.1184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4682 1.9609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2986 3.6022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1365 2.4446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1735 -2.5685 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9948 -2.6296 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12 1 1 6 0 0 0 13 2 1 6 0 0 0 17 3 1 1 0 0 0 4 23 2 0 0 0 0 5 28 1 0 0 0 0 5 31 1 0 0 0 0 6 30 2 0 0 0 0 7 31 2 0 0 0 0 8 35 2 0 0 0 0 8 36 1 0 0 0 0 9 10 1 0 0 0 0 9 13 1 0 0 0 0 9 15 1 0 0 0 0 9 20 1 1 0 0 0 10 11 1 0 0 0 0 10 14 1 0 0 0 0 10 37 1 6 0 0 0 11 12 1 0 0 0 0 11 19 1 0 0 0 0 11 38 1 1 0 0 0 12 17 1 0 0 0 0 12 18 1 0 0 0 0 13 16 1 0 0 0 0 13 23 1 0 0 0 0 14 16 1 0 0 0 0 15 17 1 0 0 0 0 16 24 1 6 0 0 0 18 22 1 0 0 0 0 18 25 1 1 0 0 0 18 26 1 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 22 27 2 0 0 0 0 23 28 1 0 0 0 0 26 29 2 0 0 0 0 27 30 1 0 0 0 0 29 30 1 0 0 0 0 31 32 1 0 0 0 0 32 33 2 0 0 0 0 32 34 1 0 0 0 0 33 35 1 0 0 0 0 34 36 2 0 0 0 0 M END > CHEBI:177639 > Dexamethasone 21-(4-Pyridinecarboxylate) > 2 > [2-[(8S,9R,10S,11S,13S,14S,16R,17R)-9-luoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] pyridine-4-carboxylate > C28H32FNO6 > 497.563 > 497.22137 > 0 > F[C@@]12[C@]([C@]3([C@@]([C@](O)([C@@H](C3)C)C(=O)COC(=O)C4=CC=NC=C4)(C[C@@H]1O)C)[H])(CCC=5[C@]2(C)C=CC(=O)C5)[H] > InChI=1S/C28H32FNO6/c1-16-12-21-20-5-4-18-13-19(31)6-9-25(18,2)27(20,29)22(32)14-26(21,3)28(16,35)23(33)15-36-24(34)17-7-10-30-11-8-17/h6-11,13,16,20-22,32,35H,4-5,12,14-15H2,1-3H3/t16-,20+,21+,22+,25+,26+,27+,28+/m1/s1 > BQTXJHAJMDGOFI-NJLPOHDGSA-N > 2265-64-7 > 2265-64-7 > DB11487 > D07797 $$$$