(Q105351618)

English

(2S,3R,4S,5S,6R)-2-{[(1S,3aS,4R,6aR)-4-(4-hydroxy-3,5-dimethoxyphenyl)-1-(4-hydroxy-3-methoxyphenyl)-tetrahydro-1H-furo[3,4-c]furan-3a-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

chemical compound

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instance of

type of chemical entity

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subclass of

2-[[3-(4-hydroxy-3,5-dimethoxyphenyl)-6-(4-hydroxy-3-methoxyphenyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]furan-3a-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

1 reference

based on heuristic

inferred from SMILES

mass

566.199941148 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₇H₃₄O₁₃

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canonical SMILES

OC1=CC=C(C=C1OC)C2OCC3(OC4OC(CO)C(O)C(O)C4O)C(OCC23)C5=CC(OC)=C(O)C(OC)=C5

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isomeric SMILES

COc1cc([C@H]2OC[C@]3(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](c4cc(OC)c(O)c(OC)c4)OC[C@H]23)ccc1O

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found in taxon

Olea europaea

1 reference

stated in

Lignans from bark of the Olea plants. II.

Stauntonia hexaphylla

1 reference

stated in

Bisepoxylignan glycosides from Stauntonia hexaphylla

Identifiers

InChI

InChI=1S/C27H34O13/c1-34-16-6-12(4-5-15(16)29)24-14-10-37-25(13-7-17(35-2)20(30)18(8-13)36-3)27(14,11-38-24)40-26-23(33)22(32)21(31)19(9-28)39-26/h4-8,14,19,21-26,28-33H,9-11H2,1-3H3/t14-,19-,21-,22+,23-,24-,25-,26+,27-/m1/s1

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InChIKey

YPAOREQYVAAYMG-FRKCGNQASA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

YPAOREQYVAAYMG-FRKCGNQASA-N

1 reference

(Q105351618)

(2S,3R,4S,5S,6R)-2-{[(1S,3aS,4R,6aR)-4-(4-hydroxy-3,5-dimethoxyphenyl)-1-(4-hydroxy-3-methoxyphenyl)-tetrahydro-1H-furo[3,4-c]furan-3a-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

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Identifiers

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