(+)-(7''S,8S,8'R,8''S)-4,4''-dihydroxy-3,3',3'',5'-tetramethoxy-4',8''-oxy-8,8'-sesquineolignan-7''-ol

Properties Image MNX_ID MNXM100729 reference chebi:68153 formula C31H40O8 global charge 0 mol weight 540.653 InChIKey SXBVVAJDHDRCBF-RIDHQVKPSA-N InChI InChI=1S/C31H40O8/c1-18(12-21-8-10-24(32)26(14-21)35-4)19(2)13-22-15-28(37-6)31(29(16-22)38-7)39-20(3)30(34)23-9-11-25(33)27(17-23)36-5/h8-11,14-20,30,32-34H,12-13H2,1-7H3/t18-,19+,20-,30+/m0/s1 SMILES COC1=CC(C[C@H](C)[C@H](C)CC2=CC(OC)=C(O[C@@H](C)[C@@H](O)C3=CC(OC)=C(O)C=C3)C(OC)=C2)=CC=C1O MNX internals InChI (mnx) InChI=1/C31H40O8/c1-18(12-21-8-10-24(32)26(14-21)35-4)19(2)13-22-15-28(37-6)31(29(16-22)38-7)39-20(3)30(34)23-9-11-25(33)27(17-23)36-5/h8-11,14-20,30,32-34H,12-13H2,1-7H3/t18-,19+,20-,30+/m0/s1 SMILES (mnx) [CH3:1][C@@H:18]([CH2:12][C:21]1=[CH:14][C:26]([O:35][CH3:4])=[C:24]([OH:32])[CH:10]=[CH:8]1)[C@H:19]([CH3:2])[CH2:13][C:22]1=[CH:15][C:28]([O:37][CH3:6])=[C:31]([O:39][C@@H:20]([CH3:3])[C@H:30]([C:23]2=[CH:17][C:27]([O:36][CH3:5])=[C:25]([OH:33])[CH:11]=[CH:9]2)[OH:34])[C:29]([O:38][CH3:7])=[CH:16]1

Parent-child relations graph

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