(-)-(7R,7'R,8S,8'S)-4'-hydroxy-3,3',4,5,5'-pentamethoxy-7,9':7',9-diepoxylignane

Properties Image MNX_ID MNXM100860 reference chebi:67630 formula C23H28O8 global charge 0 mol weight 432.469 InChIKey AJMQKDTUOKAQNT-SDVFQCAASA-N InChI InChI=1S/C23H28O8/c1-25-16-6-12(7-17(26-2)20(16)24)21-14-10-31-22(15(14)11-30-21)13-8-18(27-3)23(29-5)19(9-13)28-4/h6-9,14-15,21-22,24H,10-11H2,1-5H3/t14-,15-,21+,22+/m1/s1 SMILES COC1=CC([C@@H]2OC[C@@H]3[C@H]2CO[C@H]3C2=CC(OC)=C(OC)C(OC)=C2)=CC(OC)=C1O MNX internals InChI (mnx) InChI=1/C23H28O8/c1-25-16-6-12(7-17(26-2)20(16)24)21-14-10-31-22(15(14)11-30-21)13-8-18(27-3)23(29-5)19(9-13)28-4/h6-9,14-15,21-22,24H,10-11H2,1-5H3/t14-,15-,21+,22+/m1/s1 SMILES (mnx) [CH3:1][O:25][C:16]1=[C:20]([OH:24])[C:17]([O:26][CH3:2])=[CH:7][C:12]([C@H:21]2[C@@H:14]3[CH2:10][O:31][C@@H:22]([C:13]4=[CH:8][C:18]([O:27][CH3:3])=[C:23]([O:29][CH3:5])[C:19]([O:28][CH3:4])=[CH:9]4)[C@@H:15]3[CH2:11][O:30]2)=[CH:6]1

Parent-child relations graph

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