[(2R,3R,4S,5R,6R)-5-[(E)-3-[3,4-bis(oxidanyl)phenyl]prop-2-enoyl]oxy-2-(hydroxymethyl)-6-methoxy-3-oxidanyl-oxan-4-yl] (E)-3-[3,4-bis(oxidanyl)phenyl]prop-2-enoate

Systemtic Name: [(2R,3R,4S,5R,6R)-5-[(E)-3-[3,4-bis(oxidanyl)phenyl]prop-2-enoyl]oxy-2-(hydroxymethyl)-6-methoxy-3-oxidanyl-oxan-4-yl] (E)-3-[3,4-bis(oxidanyl)phenyl]prop-2-enoate Openeye Name: [(2R,3R,4S,5R,6R)-5-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-3-hydroxy-2-(hydroxymethyl)-6-methoxy-tetrahydropyran-4-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate CAS Name: (E)-3-(3,4-dihydroxyphenyl)-2-propenoic acid [(2R,3R,4S,5R,6R)-5-[(E)-3-(3,4-dihydroxyphenyl)-1-oxoprop-2-enoxy]-3-hydroxy-2-(hydroxymethyl)-6-methoxy-4-oxanyl] ester IUPAC Name: [(2R,3R,4S,5R,6R)-5-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-3-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate Traditional Name: (E)-3-(3,4-dihydroxyphenyl)acrylic acid [(2R,3R,4S,5R,6R)-3-[(E)-3-(3,4-dihydroxyphenyl)acryloyl]oxy-5-hydroxy-2-methoxy-6-methylol-tetrahydropyran-4-yl] ester Formula: C25H26O12 MolecularWeight: 518.46674

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Descriptors Computed from Structure

Canonical SMILES:

COC1C(C(C(C(O1)CO)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)OC(=O)C=CC3=CC(=C(C=C3)O)O

Isomeric SMILES

CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)OC(=O)/C=C/C2=CC(=C(C=C2)O)O)OC(=O)/C=C/C3=CC(=C(C=C3)O)O

InChI

InChI=1S/C25H26O12/c1-34-25-24(37-21(32)9-5-14-3-7-16(28)18(30)11-14)23(22(33)19(12-26)35-25)36-20(31)8-4-13-2-6-15(27)17(29)10-13/h2-11,19,22-30,33H,12H2,1H3/b8-4+,9-5+/t19-,22-,23+,24-,25-/m1/s1