(Q113959799)

English

(2S,3R,4S,5R)-2-{[(3S,6E)-1,7-bis(3,4-dihydroxyphenyl)-5-oxohept-6-en-3-yl]oxy}-4,5-dihydroxyoxan-3-yl 2-methylbutanoate

group of stereoisomers with the chemical formula C₂₉H₃₆O₁₁

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Statements

group of stereoisomers

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chemical compound

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560.225761972 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₂₉H₃₆O₁₁

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canonical SMILES

O=C(OC1C(OCC(O)C1O)OC(CC(=O)C=CC2=CC=C(O)C(O)=C2)CCC3=CC=C(O)C(O)=C3)C(C)CC

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isomeric SMILES

CCC(C)C(=O)O[C@H]1[C@H](O[C@@H](CCc2ccc(O)c(O)c2)CC(=O)/C=C/c2ccc(O)c(O)c2)OC[C@@H](O)[C@@H]1O

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Alnus formosana

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A comprehensive investigation of anti-inflammatory diarylheptanoids from the leaves of Alnus formosana

Identifiers

InChI=1S/C29H36O11/c1-3-16(2)28(37)40-27-26(36)25(35)15-38-29(27)39-20(9-5-18-7-11-22(32)24(34)13-18)14-19(30)8-4-17-6-10-21(31)23(33)12-17/h4,6-8,10-13,16,20,25-27,29,31-36H,3,5,9,14-15H2,1-2H3/b8-4+/t16?,20-,25+,26-,27+,29-/m0/s1

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CGFOWVOLFGQRNA-VUDURGAZSA-N

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