1alpha-hydroxyandrost-4-ene-3,17-dione

Properties Image MNX_ID MNXM162890 reference chebi:133778 formula C19H26O3 global charge 0 mol weight 302.414 InChIKey JVRABWKGNATXPC-HQRJMKCBSA-N InChI InChI=1S/C19H26O3/c1-18-8-7-15-13(14(18)5-6-16(18)21)4-3-11-9-12(20)10-17(22)19(11,15)2/h9,13-15,17,22H,3-8,10H2,1-2H3/t13-,14-,15-,17-,18-,19-/m0/s1 SMILES C[C@@]12C(=CC(=O)C[C@@H]1O)CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12 MNX internals InChI (mnx) InChI=1/C19H26O3/c1-18-8-7-15-13(14(18)5-6-16(18)21)4-3-11-9-12(20)10-17(22)19(11,15)2/h9,13-15,17,22H,3-8,10H2,1-2H3/t13-,14-,15-,17-,18-,19-/m0/s1 SMILES (mnx) [CH3:1][C@:18]12[CH2:8][CH2:7][C@H:15]3[C@@H:13]([CH2:4][CH2:3][C:11]4=[CH:9][C:12](=[O:20])[CH2:10][C@H:17]([OH:22])[C@@:19]43[CH3:2])[C@@H:14]1[CH2:5][CH2:6][C:16]2=[O:21]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 3 in models (compartimentalized) 0