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

Systemtic Name: [(3S,4R,5R)-3,4-bis(oxidanyl)-5-[[(2R,3S,4S,5R,6R)-3,4,5-tris(oxidanyl)-6-[(2S)-pentan-2-yl]oxy-oxan-2-yl]methoxy]oxolan-3-yl]methyl (E)-3-[3,4-bis(oxidanyl)phenyl]prop-2-enoate Openeye Name: [(3S,4R,5R)-3,4-dihydroxy-5-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(1S)-1-methylbutoxy]tetrahydropyran-2-yl]methoxy]tetrahydrofuran-3-yl]methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate CAS Name: (E)-3-(3,4-dihydroxyphenyl)-2-propenoic acid [(3S,4R,5R)-3,4-dihydroxy-5-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(2S)-pentan-2-yl]oxy-2-oxanyl]methoxy]-3-oxolanyl]methyl ester IUPAC Name: [(3S,4R,5R)-3,4-dihydroxy-5-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(2S)-pentan-2-yl]oxyoxan-2-yl]methoxy]oxolan-3-yl]methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate Traditional Name: (E)-3-(3,4-dihydroxyphenyl)acrylic acid [(3S,4R,5R)-3,4-dihydroxy-5-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(1S)-1-methylbutoxy]tetrahydropyran-2-yl]methoxy]tetrahydrofuran-3-yl]methyl ester Formula: C25H36O13 MolecularWeight: 544.54554

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)OC1C(C(C(C(O1)COC2C(C(CO2)(COC(=O)C=CC3=CC(=C(C=C3)O)O)O)O)O)O)O

Isomeric SMILES

CCC[C@H](C)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO[C@H]2[C@@H]([C@](CO2)(COC(=O)/C=C/C3=CC(=C(C=C3)O)O)O)O)O)O)O

InChI

InChI=1S/C25H36O13/c1-3-4-13(2)37-23-21(31)20(30)19(29)17(38-23)10-34-24-22(32)25(33,12-36-24)11-35-18(28)8-6-14-5-7-15(26)16(27)9-14/h5-9,13,17,19-24,26-27,29-33H,3-4,10-12H2,1-2H3/b8-6+/t13-,17+,19+,20-,21+,22-,23+,24+,25+/m0/s1