(Q105259464)

English

[(2R,3R,4S,5S)-5-[(2R,3R,4S,5R,6R)-3-acetyloxy-6-(acetyloxymethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxy-4-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy-5-(hydroxymethyl)oxolan-2-yl]methyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

[5-[3-Acetyloxy-6-(acetyloxymethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxy-4-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyloxy]-5-(hydroxymethyl)oxolan-2-yl]methyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

778.232029124 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(2R,3R,4S,5S)-5-[(2R,3R,4S,5S,6R)-3-acetyloxy-6-(acetyloxymethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxy-4-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy-5-(hydroxymethyl)oxolan-2-yl]methyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₃₆H₄₂O₁₉

0 references

canonical SMILES

O=C(OCC1OC(OC2OC(COC(=O)C)C(O)C(O)C2OC(=O)C)(CO)C(OC(=O)C=CC3=CC=C(O)C(OC)=C3)C1O)C=CC4=CC=C(O)C(OC)=C4

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isomeric SMILES

COc1cc(/C=C/C(=O)OC[C@H]2O[C@@](CO)(O[C@H]3O[C@H](COC(C)=O)[C@H](O)[C@H](O)[C@H]3OC(C)=O)[C@@H](OC(=O)/C=C/c3ccc(O)c(OC)c3)[C@@H]2O)ccc1O

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found in taxon

Persicaria perfoliata

1 reference

stated in

New sucrose phenylpropanoid esters from Polygonum perfoliatum

Identifiers

InChI

InChI=1S/C36H42O19/c1-18(38)49-15-26-30(44)32(46)33(51-19(2)39)35(52-26)55-36(17-37)34(53-29(43)12-8-21-6-10-23(41)25(14-21)48-4)31(45)27(54-36)16-50-28(42)11-7-20-5-9-22(40)24(13-20)47-3/h5-14,26-27,30-35,37,40-41,44-46H,15-17H2,1-4H3/b11-7+,12-8+/t26-,27-,30+,31-,32+,33-,34+,35-,36+/m1/s1

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InChIKey

SRWBBSNPERFORL-PCCKFFATSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

SRWBBSNPERFORL-PCCKFFATSA-N

(Q105259464)

[(2R,3R,4S,5S)-5-[(2R,3R,4S,5R,6R)-3-acetyloxy-6-(acetyloxymethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxy-4-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy-5-(hydroxymethyl)oxolan-2-yl]methyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

Statements

Identifiers

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