(8R,8'R,9S)-9-Hydroxy-3,4-dimethoxy-3',4'-methylenoxy-9,9'-epoxylignan

Properties Image MNX_ID MNXM115224 reference chebi:175785 formula C21H24O6 global charge 0 mol weight 372.417 InChIKey FDXPFHFRXMBVEU-UHFFFAOYSA-N InChI InChI=1S/C21H24O6/c1-23-17-5-3-14(9-19(17)24-2)8-16-15(11-25-21(16)22)7-13-4-6-18-20(10-13)27-12-26-18/h3-6,9-10,15-16,21-22H,7-8,11-12H2,1-2H3 SMILES COC1=C(OC)C=C(CC2C(CC3=CC=C4OCOC4=C3)COC2O)C=C1 MNX internals InChI (mnx) InChI=1/C21H24O6/c1-23-17-5-3-14(9-19(17)24-2)8-16-15(11-25-21(16)22)7-13-4-6-18-20(10-13)27-12-26-18/h3-6,9-10,15-16,21-22H,7-8,11-12H2,1-2H3/t15?,16?,21? SMILES (mnx) [CH3:1][O:23][C:17]1=[C:19]([O:24][CH3:2])[CH:9]=[C:14]([CH2:8][CH:16]2[CH:15]([CH2:7][C:13]3=[CH:10][C:20]4=[C:18]([CH:6]=[CH:4]3)[O:26][CH2:12][O:27]4)[CH2:11][O:25][CH:21]2[OH:22])[CH:3]=[CH:5]1

Parent-child relations graph

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