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

Systemtic Name: [(2R,3S,4S,5R,6R)-6-[(2S,3S)-3-methyl-2,3,4-tris(oxidanyl)butoxy]-3,4,5-tris(oxidanyl)oxan-2-yl]methyl (E)-3-[3,4-bis(oxidanyl)phenyl]prop-2-enoate Openeye Name: [(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(2S,3S)-2,3,4-trihydroxy-3-methyl-butoxy]tetrahydropyran-2-yl]methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate CAS Name: (E)-3-(3,4-dihydroxyphenyl)-2-propenoic acid [(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(2S,3S)-2,3,4-trihydroxy-3-methylbutoxy]-2-oxanyl]methyl ester IUPAC Name: [(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(2S,3S)-2,3,4-trihydroxy-3-methylbutoxy]oxan-2-yl]methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate Traditional Name: (E)-3-(3,4-dihydroxyphenyl)acrylic acid [(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(2S,3S)-2,3,4-trihydroxy-3-methyl-butoxy]tetrahydropyran-2-yl]methyl ester Formula: C20H28O12 MolecularWeight: 460.42912

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Descriptors Computed from Structure

Canonical SMILES:

CC(CO)(C(COC1C(C(C(C(O1)COC(=O)C=CC2=CC(=C(C=C2)O)O)O)O)O)O)O

Isomeric SMILES

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

InChI

InChI=1S/C20H28O12/c1-20(29,9-21)14(24)8-31-19-18(28)17(27)16(26)13(32-19)7-30-15(25)5-3-10-2-4-11(22)12(23)6-10/h2-6,13-14,16-19,21-24,26-29H,7-9H2,1H3/b5-3+/t13-,14+,16-,17+,18-,19-,20+/m1/s1