clobetasone

Properties Image MNX_ID MNXM47247 reference chebi:177795 formula C22H26ClFO4 global charge 0 mol weight 408.897 InChIKey XXIFVOHLGBURIG-OZCCCYNHSA-N InChI InChI=1S/C22H26ClFO4/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,24)17(26)10-20(16,3)22(12,28)18(27)11-23/h6-7,9,12,15-16,28H,4-5,8,10-11H2,1-3H3/t12-,15-,16-,19-,20-,21-,22-/m0/s1 SMILES C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)C(=O)C[C@]2(C)[C@@]1(O)C(=O)CCl MNX internals InChI (mnx) InChI=1/C22H26ClFO4/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,24)17(26)10-20(16,3)22(12,28)18(27)11-23/h6-7,9,12,15-16,28H,4-5,8,10-11H2,1-3H3/t12-,15-,16-,19-,20-,21-,22-/m0/s1 SMILES (mnx) [CH3:1][C@H:12]1[CH2:8][C@H:16]2[C@@H:15]3[CH2:5][CH2:4][C:13]4=[CH:9][C:14](=[O:25])[CH:6]=[CH:7][C@:19]4([CH3:2])[C@@:21]3([F:24])[C:17](=[O:26])[CH2:10][C@:20]2([CH3:3])[C@:22]1([C:18]([CH2:11][Cl:23])=[O:27])[OH:28]

Parent-child relations graph

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