[(2R,3S,4S,5R,6R)-6-[2-[6-ethanoyl-3,5-bis(oxidanyl)-2,3-dihydro-1-benzofuran-2-yl]prop-2-enoxy]-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-[2-[6-ethanoyl-3,5-bis(oxidanyl)-2,3-dihydro-1-benzofuran-2-yl]prop-2-enoxy]-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)-6-[2-(6-acetyl-3,5-dihydroxy-2,3-dihydrobenzofuran-2-yl)allyloxy]-3,4,5-trihydroxy-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)-6-[2-(6-acetyl-3,5-dihydroxy-2,3-dihydrobenzofuran-2-yl)prop-2-enoxy]-3,4,5-trihydroxy-2-oxanyl]methyl ester IUPAC Name: [(2R,3S,4S,5R,6R)-6-[2-(6-acetyl-3,5-dihydroxy-2,3-dihydro-1-benzofuran-2-yl)prop-2-enoxy]-3,4,5-trihydroxyoxan-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)-6-[2-(6-acetyl-3,5-dihydroxy-coumaran-2-yl)allyloxy]-3,4,5-trihydroxy-tetrahydropyran-2-yl]methyl ester Formula: C28H30O13 MolecularWeight: 574.53

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(C=C1O)C(C(O2)C(=C)COC3C(C(C(C(O3)COC(=O)C=CC4=CC(=C(C=C4)O)O)O)O)O)O

Isomeric SMILES

CC(=O)C1=CC2=C(C=C1O)C(C(O2)C(=C)CO[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)COC(=O)/C=C/C4=CC(=C(C=C4)O)O)O)O)O)O

InChI

InChI=1S/C28H30O13/c1-12(27-23(34)16-8-18(31)15(13(2)29)9-20(16)40-27)10-39-28-26(37)25(36)24(35)21(41-28)11-38-22(33)6-4-14-3-5-17(30)19(32)7-14/h3-9,21,23-28,30-32,34-37H,1,10-11H2,2H3/b6-4+/t21-,23?,24-,25+,26-,27?,28-/m1/s1