6alpha,9alpha-Difluoroprednisolone-17-butyrate

Properties Image MNX_ID MNXM151511 reference chebi:168977 formula C25H32F2O6 global charge 0 mol weight 466.521 InChIKey BQEJAAIPKDQEPV-MXHGPKCJSA-N InChI InChI=1S/C25H32F2O6/c1-4-5-21(32)33-24(20(31)13-28)9-7-15-16-11-18(26)17-10-14(29)6-8-22(17,2)25(16,27)19(30)12-23(15,24)3/h6,8,10,15-16,18-19,28,30H,4-5,7,9,11-13H2,1-3H3/t15-,16-,18-,19-,22-,23-,24-,25-/m0/s1 SMILES CCCC(=O)O[C@]1(C(=O)CO)CC[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C MNX internals InChI (mnx) InChI=1/C25H32F2O6/c1-4-5-21(32)33-24(20(31)13-28)9-7-15-16-11-18(26)17-10-14(29)6-8-22(17,2)25(16,27)19(30)12-23(15,24)3/h6,8,10,15-16,18-19,28,30H,4-5,7,9,11-13H2,1-3H3/t15-,16-,18-,19-,22-,23-,24-,25-/m0/s1 SMILES (mnx) [CH3:1][CH2:4][CH2:5][C:21](=[O:32])[O:33][C@:24]1([C:20]([CH2:13][OH:28])=[O:31])[CH2:9][CH2:7][C@H:15]2[C@@H:16]3[CH2:11][C@H:18]([F:26])[C:17]4=[CH:10][C:14](=[O:29])[CH:6]=[CH:8][C@:22]4([CH3:2])[C@@:25]3([F:27])[C@@H:19]([OH:30])[CH2:12][C@@:23]21[CH3:3]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0