androstane-3,17-diol

Properties Image MNX_ID MNXM1107883 reference chebi:27727 formula C19H32O2 global charge 0 mol weight 292.463 InChIKey CBMYJHIOYJEBSB-CAHXEBCQSA-N InChI InChI=1S/C19H32O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12-17,20-21H,3-11H2,1-2H3/t12?,13?,14-,15-,16-,17?,18-,19-/m0/s1 SMILES C[C@]12CCC(O)CC1CC[C@@H]1[C@@H]2CC[C@]2(C)C(O)CC[C@@H]12 MNX internals InChI (mnx) InChI=1/C19H32O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12-17,20-21H,3-11H2,1-2H3/t12?,13?,14-,15-,16-,17?,18-,19-/m0/s1 SMILES (mnx) [CH3:1][C@:18]12[CH2:9][CH2:7][CH:13]([OH:20])[CH2:11][CH:12]1[CH2:3][CH2:4][C@H:14]1[C@@H:15]3[CH2:5][CH2:6][CH:17]([OH:21])[C@@:19]3([CH3:2])[CH2:10][CH2:8][C@@H:16]12

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 6 in models (compartimentalized) 0