3-Methoxy-19-nor-17alpha-pregna-1,3,5(10)-trien-17beta-ol

Properties Image MNX_ID MNXM36588 reference chebi:34340 formula C21H30O2 global charge 0 mol weight 314.469 InChIKey NVYBDSYHTNOJSQ-MJCUULBUSA-N InChI InChI=1S/C21H30O2/c1-4-21(22)12-10-19-18-7-5-14-13-15(23-3)6-8-16(14)17(18)9-11-20(19,21)2/h6,8,13,17-19,22H,4-5,7,9-12H2,1-3H3/t17-,18-,19+,20+,21+/m1/s1 SMILES CC[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(OC)=CC=C4[C@H]3CC[C@@]21C MNX internals InChI (mnx) InChI=1/C21H30O2/c1-4-21(22)12-10-19-18-7-5-14-13-15(23-3)6-8-16(14)17(18)9-11-20(19,21)2/h6,8,13,17-19,22H,4-5,7,9-12H2,1-3H3/t17-,18-,19+,20+,21+/m1/s1 SMILES (mnx) [CH3:1][CH2:4][C@:21]1([OH:22])[CH2:12][CH2:10][C@H:19]2[C@@H:18]3[CH2:7][CH2:5][C:14]4=[CH:13][C:15]([O:23][CH3:3])=[CH:6][CH:8]=[C:16]4[C@H:17]3[CH2:9][CH2:11][C@@:20]21[CH3:2]

Parent-child relations graph

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