(Q105010033)

English

[(2R,3S,4S,5R,6S)-6-[2-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-6-oxopyran-4-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

alkyl caffeate ester

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mass

570.137340892 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₈H₂₆O₁₃

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canonical SMILES

O=C(OCC1OC(OC2=CC(=O)OC(C=CC3=CC=C(O)C(O)=C3)=C2)C(O)C(O)C1O)C=CC4=CC=C(O)C(O)=C4

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isomeric SMILES

O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1O[C@@H](Oc2cc(/C=C/c3ccc(O)c(O)c3)oc(=O)c2)[C@H](O)[C@@H](O)[C@@H]1O

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found in taxon

Clematis tashiroi

1 reference

stated in

Antioxidant and Anti-Inflammatory Phenolic Glycosides from Clematis tashiroi

Identifiers

InChI

InChI=1S/C28H26O13/c29-18-6-2-14(9-20(18)31)1-5-16-11-17(12-24(34)39-16)40-28-27(37)26(36)25(35)22(41-28)13-38-23(33)8-4-15-3-7-19(30)21(32)10-15/h1-12,22,25-32,35-37H,13H2/b5-1+,8-4+/t22-,25-,26+,27-,28-/m1/s1

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InChIKey

GKIGHGLGNQIWAP-MLRIOAKVSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

GKIGHGLGNQIWAP-MLRIOAKVSA-N

1 reference

(Q105010033)

[(2R,3S,4S,5R,6S)-6-[2-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-6-oxopyran-4-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate

Statements

Identifiers

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