9-Fluoro-16alpha-methylpregn-4-ene-3,11,20-trione

Properties Image MNX_ID MNXM39570 reference chebi:79666 formula C22H29FO3 global charge 0 mol weight 360.469 InChIKey WFZJPTGGAJQTCK-VMYXTEHFSA-N InChI InChI=1S/C22H29FO3/c1-12-9-17-16-6-5-14-10-15(25)7-8-21(14,4)22(16,23)18(26)11-20(17,3)19(12)13(2)24/h10,12,16-17,19H,5-9,11H2,1-4H3/t12-,16+,17+,19-,20+,21+,22+/m1/s1 SMILES CC(=O)[C@H]1[C@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@]3(F)C(=O)C[C@@]21C MNX internals InChI (mnx) InChI=1/C22H29FO3/c1-12-9-17-16-6-5-14-10-15(25)7-8-21(14,4)22(16,23)18(26)11-20(17,3)19(12)13(2)24/h10,12,16-17,19H,5-9,11H2,1-4H3/t12-,16+,17+,19-,20+,21+,22+/m1/s1 SMILES (mnx) [CH3:1][C@@H:12]1[CH2:9][C@H:17]2[C@@H:16]3[CH2:6][CH2:5][C:14]4=[CH:10][C:15](=[O:25])[CH2:7][CH2:8][C@:21]4([CH3:4])[C@@:22]3([F:23])[C:18](=[O:26])[CH2:11][C@:20]2([CH3:3])[C@H:19]1[C:13]([CH3:2])=[O:24]

Parent-child relations graph

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