[(2R,3S,4R,5R,6R)-6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-3-yl] (E)-3-(3,4-dimethoxyphenyl)prop-2-enoate

Systemtic Name: [(2R,3S,4R,5R,6R)-6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-3-yl] (E)-3-(3,4-dimethoxyphenyl)prop-2-enoate Openeye Name: [(2R,3S,4R,5R,6R)-6-[2-(3,4-dimethoxyphenyl)ethoxy]-4,5-dihydroxy-2-(hydroxymethyl)tetrahydropyran-3-yl] (E)-3-(3,4-dimethoxyphenyl)prop-2-enoate CAS Name: (E)-3-(3,4-dimethoxyphenyl)-2-propenoic acid [(2R,3S,4R,5R,6R)-6-[2-(3,4-dimethoxyphenyl)ethoxy]-4,5-dihydroxy-2-(hydroxymethyl)-3-oxanyl] ester IUPAC Name: [(2R,3S,4R,5R,6R)-6-[2-(3,4-dimethoxyphenyl)ethoxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl] (E)-3-(3,4-dimethoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(3,4-dimethoxyphenyl)acrylic acid [(2R,3S,4R,5R,6R)-6-homoveratryloxy-4,5-dihydroxy-2-methylol-tetrahydropyran-3-yl] ester Formula: C27H34O11 MolecularWeight: 534.55226

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCOC2C(C(C(C(O2)CO)OC(=O)C=CC3=CC(=C(C=C3)OC)OC)O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)OC(=O)/C=C/C3=CC(=C(C=C3)OC)OC)O)O)OC

InChI

InChI=1S/C27H34O11/c1-32-18-8-5-16(13-20(18)34-3)7-10-23(29)38-26-22(15-28)37-27(25(31)24(26)30)36-12-11-17-6-9-19(33-2)21(14-17)35-4/h5-10,13-14,22,24-28,30-31H,11-12,15H2,1-4H3/b10-7+/t22-,24-,25-,26-,27-/m1/s1