3-[2-[3,5-dimethoxy-4-[(1R,2R)-1-(3-methoxy-4-oxidanyl-phenyl)-1,3-bis(oxidanyl)propan-2-yl]oxy-phenyl]-3-(hydroxymethyl)-7-oxidanyl-2,3-dihydro-1-benzofuran-5-yl]propyl (E)-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enoate

Systemtic Name: 3-[2-[3,5-dimethoxy-4-[(1R,2R)-1-(3-methoxy-4-oxidanyl-phenyl)-1,3-bis(oxidanyl)propan-2-yl]oxy-phenyl]-3-(hydroxymethyl)-7-oxidanyl-2,3-dihydro-1-benzofuran-5-yl]propyl (E)-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enoate Openeye Name: 3-[7-hydroxy-2-[4-[(1R,2R)-2-hydroxy-2-(4-hydroxy-3-methoxy-phenyl)-1-(hydroxymethyl)ethoxy]-3,5-dimethoxy-phenyl]-3-(hydroxymethyl)-2,3-dihydrobenzofuran-5-yl]propyl (E)-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enoate CAS Name: (E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoic acid 3-[2-[4-[(1R,2R)-1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy-3,5-dimethoxyphenyl]-7-hydroxy-3-(hydroxymethyl)-2,3-dihydrobenzofuran-5-yl]propyl ester IUPAC Name: 3-[2-[4-[(1R,2R)-1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy-3,5-dimethoxyphenyl]-7-hydroxy-3-(hydroxymethyl)-2,3-dihydro-1-benzofuran-5-yl]propyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(4-hydroxy-3-methoxy-phenyl)acrylic acid 3-[7-hydroxy-2-[4-[(1R,2R)-2-hydroxy-2-(4-hydroxy-3-methoxy-phenyl)-1-methylol-ethoxy]-3,5-dimethoxy-phenyl]-3-methylol-coumaran-5-yl]propyl ester Formula: C40H44O14 MolecularWeight: 748.76896

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC(CO)C(C2=CC(=C(C=C2)O)OC)O)OC)C3C(C4=CC(=CC(=C4O3)O)CCCOC(=O)C=CC5=CC(=C(C=C5)O)OC)CO

Isomeric SMILES

COC1=CC(=CC(=C1O[C@H](CO)[C@@H](C2=CC(=C(C=C2)O)OC)O)OC)C3C(C4=CC(=CC(=C4O3)O)CCCOC(=O)/C=C/C5=CC(=C(C=C5)O)OC)CO

InChI

InChI=1S/C40H44O14/c1-48-31-16-22(7-10-28(31)43)8-12-36(46)52-13-5-6-23-14-26-27(20-41)38(54-39(26)30(45)15-23)25-18-33(50-3)40(34(19-25)51-4)53-35(21-42)37(47)24-9-11-29(44)32(17-24)49-2/h7-12,14-19,27,35,37-38,41-45,47H,5-6,13,20-21H2,1-4H3/b12-8+/t27?,35-,37-,38?/m1/s1