diflucortolone

Properties Image MNX_ID MNXM50644 reference chebi:135624 formula C22H28F2O4 global charge 0 mol weight 394.458 InChIKey OGPWIDANBSLJPC-RFPWEZLHSA-N InChI InChI=1S/C22H28F2O4/c1-11-6-13-14-8-16(23)15-7-12(26)4-5-21(15,3)22(14,24)18(28)9-20(13,2)19(11)17(27)10-25/h4-5,7,11,13-14,16,18-19,25,28H,6,8-10H2,1-3H3/t11-,13+,14+,16+,18+,19-,20+,21+,22+/m1/s1 SMILES C[C@@H]1C[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@]2(C)[C@H]1C(=O)CO MNX internals InChI (mnx) InChI=1/C22H28F2O4/c1-11-6-13-14-8-16(23)15-7-12(26)4-5-21(15,3)22(14,24)18(28)9-20(13,2)19(11)17(27)10-25/h4-5,7,11,13-14,16,18-19,25,28H,6,8-10H2,1-3H3/t11-,13+,14+,16+,18+,19-,20+,21+,22+/m1/s1 SMILES (mnx) [CH3:1][C@@H:11]1[CH2:6][C@H:13]2[C@@H:14]3[CH2:8][C@H:16]([F:23])[C:15]4=[CH:7][C:12](=[O:26])[CH:4]=[CH:5][C@:21]4([CH3:3])[C@@:22]3([F:24])[C@@H:18]([OH:28])[CH2:9][C@:20]2([CH3:2])[C@H:19]1[C:17]([CH2:10][OH:25])=[O:27]

Parent-child relations graph

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