3beta-Hydroxy-16beta-(hydroxymethyl)-5alpha-androstan-17-one

Properties Image MNX_ID MNXM36964 reference chebi:79485 formula C20H32O3 global charge 0 mol weight 320.473 InChIKey KQHKUOHLCRQQSG-CZUADDKVSA-N InChI InChI=1S/C20H32O3/c1-19-7-5-14(22)10-13(19)3-4-15-16(19)6-8-20(2)17(15)9-12(11-21)18(20)23/h12-17,21-22H,3-11H2,1-2H3/t12-,13+,14+,15-,16+,17+,19+,20+/m1/s1 SMILES C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)[C@@H](CO)C[C@@H]12 MNX internals InChI (mnx) InChI=1/C20H32O3/c1-19-7-5-14(22)10-13(19)3-4-15-16(19)6-8-20(2)17(15)9-12(11-21)18(20)23/h12-17,21-22H,3-11H2,1-2H3/t12-,13+,14+,15-,16+,17+,19+,20+/m1/s1 SMILES (mnx) [CH3:1][C@:19]12[CH2:7][CH2:5][C@H:14]([OH:22])[CH2:10][C@@H:13]1[CH2:3][CH2:4][C@@H:15]1[C@@H:16]2[CH2:6][CH2:8][C@@:20]2([CH3:2])[C@H:17]1[CH2:9][C@H:12]([CH2:11][OH:21])[C:18]2=[O:23]

Parent-child relations graph

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