11beta,17beta-Dihydroxy-17alpha-methylandrosta-1,4-dien-3-one

Properties Image MNX_ID MNXM33195 reference chebi:79789 formula C20H28O3 global charge 0 mol weight 316.441 InChIKey JYSKGJQTRZNVIX-OWLVHUDESA-N InChI InChI=1S/C20H28O3/c1-18-8-6-13(21)10-12(18)4-5-14-15-7-9-20(3,23)19(15,2)11-16(22)17(14)18/h6,8,10,14-17,22-23H,4-5,7,9,11H2,1-3H3/t14-,15-,16-,17+,18-,19-,20-/m0/s1 SMILES C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1CC[C@]2(C)O MNX internals InChI (mnx) InChI=1/C20H28O3/c1-18-8-6-13(21)10-12(18)4-5-14-15-7-9-20(3,23)19(15,2)11-16(22)17(14)18/h6,8,10,14-17,22-23H,4-5,7,9,11H2,1-3H3/t14-,15-,16-,17+,18-,19-,20-/m0/s1 SMILES (mnx) [CH3:1][C@:18]12[CH:8]=[CH:6][C:13](=[O:21])[CH:10]=[C:12]1[CH2:4][CH2:5][C@H:14]1[C@@H:15]3[CH2:7][CH2:9][C@:20]([CH3:3])([OH:23])[C@@:19]3([CH3:2])[CH2:11][C@H:16]([OH:22])[C@@H:17]12

Parent-child relations graph

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