3beta,20alpha-dihydroxy-5beta-pregnane

Properties Image MNX_ID MNXM166593 reference chebi:156526 formula C21H36O2 global charge 0 mol weight 320.517 InChIKey YWYQTGBBEZQBGO-HUTKLZKUSA-N InChI InChI=1S/C21H36O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h13-19,22-23H,4-12H2,1-3H3/t13-,14+,15-,16-,17+,18-,19-,20-,21+/m0/s1 SMILES C[C@H](O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C MNX internals InChI (mnx) InChI=1/C21H36O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h13-19,22-23H,4-12H2,1-3H3/t13-,14+,15-,16-,17+,18-,19-,20-,21+/m0/s1 SMILES (mnx) [CH3:1][C@@H:13]([C@H:17]1[CH2:6][CH2:7][C@H:18]2[C@@H:16]3[CH2:5][CH2:4][C@@H:14]4[CH2:12][C@@H:15]([OH:23])[CH2:8][CH2:10][C@:20]4([CH3:2])[C@H:19]3[CH2:9][CH2:11][C@:21]12[CH3:3])[OH:22]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 1 in models (compartimentalized) 1