6alpha-Fluoropregn-4-ene-3,20-dione

Properties Image MNX_ID MNXM38975 reference chebi:79645 formula C21H29FO2 global charge 0 mol weight 332.459 InChIKey UZROOFLUFHWOJQ-ADDDSGAWSA-N InChI InChI=1S/C21H29FO2/c1-12(23)15-4-5-16-14-11-19(22)18-10-13(24)6-8-21(18,3)17(14)7-9-20(15,16)2/h10,14-17,19H,4-9,11H2,1-3H3/t14-,15+,16-,17-,19-,20+,21+/m0/s1 SMILES CC(=O)[C@H]1CC[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C MNX internals InChI (mnx) InChI=1/C21H29FO2/c1-12(23)15-4-5-16-14-11-19(22)18-10-13(24)6-8-21(18,3)17(14)7-9-20(15,16)2/h10,14-17,19H,4-9,11H2,1-3H3/t14-,15+,16-,17-,19-,20+,21+/m0/s1 SMILES (mnx) [CH3:1][C:12]([C@H:15]1[CH2:4][CH2:5][C@H:16]2[C@@H:14]3[CH2:11][C@H:19]([F:22])[C:18]4=[CH:10][C:13](=[O:24])[CH2:6][CH2:8][C@:21]4([CH3:3])[C@H:17]3[CH2:7][CH2:9][C@:20]12[CH3:2])=[O:23]

Parent-child relations graph

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