9alpha-Fluoro-11beta,17alpha,21-trihydroxy-6alpha-methylpregna-1,4-diene-3,20-dione

Properties Image MNX_ID MNXM39640 reference chebi:79821 formula C22H29FO5 global charge 0 mol weight 392.467 InChIKey AWFOJLJWZNBTBX-MJWISQFFSA-N InChI InChI=1S/C22H29FO5/c1-12-8-16-14-5-7-21(28,18(27)11-24)20(14,3)10-17(26)22(16,23)19(2)6-4-13(25)9-15(12)19/h4,6,9,12,14,16-17,24,26,28H,5,7-8,10-11H2,1-3H3/t12-,14-,16-,17-,19-,20-,21-,22-/m0/s1 SMILES C[C@H]1C[C@H]2[C@@H]3CC[C@](O)(C(=O)CO)[C@@]3(C)C[C@H](O)[C@]2(F)[C@@]2(C)C=CC(=O)C=C12 MNX internals InChI (mnx) InChI=1/C22H29FO5/c1-12-8-16-14-5-7-21(28,18(27)11-24)20(14,3)10-17(26)22(16,23)19(2)6-4-13(25)9-15(12)19/h4,6,9,12,14,16-17,24,26,28H,5,7-8,10-11H2,1-3H3/t12-,14-,16-,17-,19-,20-,21-,22-/m0/s1 SMILES (mnx) [CH3:1][C@H:12]1[CH2:8][C@H:16]2[C@@H:14]3[CH2:5][CH2:7][C@@:21]([C:18]([CH2:11][OH:24])=[O:27])([OH:28])[C@@:20]3([CH3:3])[CH2:10][C@H:17]([OH:26])[C@:22]2([F:23])[C@@:19]2([CH3:2])[CH:6]=[CH:4][C:13](=[O:25])[CH:9]=[C:15]12

Parent-child relations graph

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