[(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(E)-2-methyl-4-oxidanyl-but-2-enoxy]-4,5-bis(oxidanyl)oxan-3-yl] (E)-3-[3,4-bis(oxidanyl)phenyl]prop-2-enoate

Systemtic Name: [(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(E)-2-methyl-4-oxidanyl-but-2-enoxy]-4,5-bis(oxidanyl)oxan-3-yl] (E)-3-[3,4-bis(oxidanyl)phenyl]prop-2-enoate Openeye Name: [(2R,3S,4S,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(E)-4-hydroxy-2-methyl-but-2-enoxy]tetrahydropyran-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate CAS Name: (E)-3-(3,4-dihydroxyphenyl)-2-propenoic acid [(2R,3S,4S,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(E)-4-hydroxy-2-methylbut-2-enoxy]-3-oxanyl] ester IUPAC Name: [(2R,3S,4S,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(E)-4-hydroxy-2-methylbut-2-enoxy]oxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate Traditional Name: (E)-3-(3,4-dihydroxyphenyl)acrylic acid [(2R,3S,4S,5R,6R)-4,5-dihydroxy-6-[(E)-4-hydroxy-2-methyl-but-2-enoxy]-2-methylol-tetrahydropyran-3-yl] ester Formula: C20H26O10 MolecularWeight: 426.41444

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26O10/c1-11(6-7-21)10-28-20-18(27)17(26)19(15(9-22)29-20)30-16(25)5-3-12-2-4-13(23)14(24)8-12/h2-6,8,15,17-24,26-27H,7,9-10H2,1H3/b5-3+,11-6+/t15-,17+,18-,19-,20-/m1/s1