clobetasol propionate

Properties Image MNX_ID MNXM47246 reference chebi:31414 formula C25H32ClFO5 global charge 0 mol weight 466.977 InChIKey CBGUOGMQLZIXBE-XGQKBEPLSA-N InChI InChI=1S/C25H32ClFO5/c1-5-21(31)32-25(20(30)13-26)14(2)10-18-17-7-6-15-11-16(28)8-9-22(15,3)24(17,27)19(29)12-23(18,25)4/h8-9,11,14,17-19,29H,5-7,10,12-13H2,1-4H3/t14-,17-,18-,19-,22-,23-,24-,25-/m0/s1 SMILES CCC(=O)O[C@]1(C(=O)CCl)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C MNX internals InChI (mnx) InChI=1/C25H32ClFO5/c1-5-21(31)32-25(20(30)13-26)14(2)10-18-17-7-6-15-11-16(28)8-9-22(15,3)24(17,27)19(29)12-23(18,25)4/h8-9,11,14,17-19,29H,5-7,10,12-13H2,1-4H3/t14-,17-,18-,19-,22-,23-,24-,25-/m0/s1 SMILES (mnx) [CH3:1][CH2:5][C:21](=[O:31])[O:32][C@:25]1([C:20]([CH2:13][Cl:26])=[O:30])[C@@H:14]([CH3:2])[CH2:10][C@H:18]2[C@@H:17]3[CH2:7][CH2:6][C:15]4=[CH:11][C:16](=[O:28])[CH:8]=[CH:9][C@:22]4([CH3:3])[C@@:24]3([F:27])[C@@H:19]([OH:29])[CH2:12][C@@:23]21[CH3:4]

Parent-child relations graph

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