(Q104982060)

English

[4,6-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-5-hydroxy-2-(hydroxymethyl)oxan-3-yl] 3,4,5-trihydroxybenzoate

group of stereoisomers with the chemical formula C₃₁H₂₈O₁₆

In more languages

Statements

group of stereoisomers

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alkyl caffeate ester

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alkyl caffeate ester

656.137734816 dalton

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based on heuristic

inferred from InChI

chemical formula

C₃₁H₂₈O₁₆

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canonical SMILES

O=C(OC1OC(CO)C(OC(=O)C2=CC(O)=C(O)C(O)=C2)C(OC(=O)C=CC3=CC=C(O)C(O)=C3)C1O)C=CC4=CC=C(O)C(O)=C4

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Identifiers

InChI=1S/C31H28O16/c32-13-23-28(47-30(43)16-11-21(37)26(41)22(38)12-16)29(45-24(39)7-3-14-1-5-17(33)19(35)9-14)27(42)31(44-23)46-25(40)8-4-15-2-6-18(34)20(36)10-15/h1-12,23,27-29,31-38,41-42H,13H2

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DJEHBAATIXBFIY-UHFFFAOYSA-N

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1 reference

based on heuristic

inferred from InChIKey

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