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

Systemtic Name: [(2R,3R,4R,5R,6R)-6-[2-(3-methoxy-4-oxidanyl-phenyl)ethoxy]-2-[[(2R,3R,4S,5S,6S)-6-methoxy-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]-4-[(2S,3R,4R,5R,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5-oxidanyl-oxan-3-yl] (E)-3-[3,4-bis(oxidanyl)phenyl]prop-2-enoate Openeye Name: [(2R,3R,4R,5R,6R)-5-hydroxy-6-[2-(4-hydroxy-3-methoxy-phenyl)ethoxy]-2-[[(2R,3R,4S,5S,6S)-3,4,5-trihydroxy-6-methoxy-tetrahydropyran-2-yl]oxymethyl]-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate CAS Name: (E)-3-(3,4-dihydroxyphenyl)-2-propenoic acid [(2R,3R,4R,5R,6R)-5-hydroxy-6-[2-(4-hydroxy-3-methoxyphenyl)ethoxy]-2-[[(2R,3R,4S,5S,6S)-3,4,5-trihydroxy-6-methoxy-2-oxanyl]oxymethyl]-4-[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-2-oxanyl]oxy]-3-oxanyl] ester IUPAC Name: [(2R,3R,4R,5R,6R)-5-hydroxy-6-[2-(4-hydroxy-3-methoxyphenyl)ethoxy]-2-[[(2R,3R,4S,5S,6S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]oxymethyl]-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate Traditional Name: (E)-3-(3,4-dihydroxyphenyl)acrylic acid [(2R,3R,4R,5R,6R)-6-homovanillyloxy-5-hydroxy-2-[[(2R,3R,4S,5S,6S)-3,4,5-trihydroxy-6-methoxy-tetrahydropyran-2-yl]oxymethyl]-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-3-yl] ester Formula: C36H48O20 MolecularWeight: 800.75432

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(C(O1)OC2C(C(OC(C2OC(=O)C=CC3=CC(=C(C=C3)O)O)COC4C(C(C(C(O4)OC)O)O)O)OCCC5=CC(=C(C=C5)O)OC)O)O)O)O

Isomeric SMILES

C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H](O[C@@H]([C@H]2OC(=O)/C=C/C3=CC(=C(C=C3)O)O)CO[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)OC)O)O)O)OCCC5=CC(=C(C=C5)O)OC)O)O)O)O

InChI

InChI=1S/C36H48O20/c1-15-24(41)25(42)29(46)36(52-15)55-32-30(47)35(50-11-10-17-5-8-19(38)21(13-17)48-2)53-22(14-51-34-28(45)26(43)27(44)33(49-3)56-34)31(32)54-23(40)9-6-16-4-7-18(37)20(39)12-16/h4-9,12-13,15,22,24-39,41-47H,10-11,14H2,1-3H3/b9-6+/t15-,22+,24-,25+,26-,27-,28+,29+,30+,31+,32+,33-,34+,35+,36-/m0/s1