(Q105362806)

English

[(3S,4R,5R)-3,4-dihydroxy-5-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-[(4-hydroxybenzoyl)oxymethyl]-2-methoxyphenoxy]oxan-2-yl]methoxy]oxolan-3-yl]methyl 3,4-dimethoxybenzoate

chemical compound

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instance of

type of chemical entity

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subclass of

[3,4-Dihydroxy-5-[[3,4,5-trihydroxy-6-[4-[(4-hydroxybenzoyl)oxymethyl]-2-methoxyphenoxy]oxan-2-yl]methoxy]oxolan-3-yl]methyl 3,4-dimethoxybenzoate

1 reference

based on heuristic

inferred from SMILES

mass

732.22654982 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(3R,4S,5S)-3,4-dihydroxy-5-[[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-[4-[(4-hydroxybenzoyl)oxymethyl]-2-methoxyphenoxy]oxan-2-yl]methoxy]oxolan-3-yl]methyl 3,4-dimethoxybenzoate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₅H₄₀O₁₇

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canonical SMILES

O=C(OCC1=CC=C(OC2OC(COC3OCC(O)(COC(=O)C4=CC=C(OC)C(OC)=C4)C3O)C(O)C(O)C2O)C(OC)=C1)C5=CC=C(O)C=C5

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isomeric SMILES

COc1ccc(C(=O)OC[C@@]2(O)CO[C@@H](OC[C@H]3O[C@@H](Oc4ccc(COC(=O)c5ccc(O)cc5)cc4OC)[C@H](O)[C@@H](O)[C@@H]3O)[C@@H]2O)cc1OC

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found in taxon

Handroanthus impetiginosum

1 reference

stated in

Constituents from the bark of Tabebuia impetiginosa

Handroanthus impetiginosus

1 reference

stated in

Constituents from the bark of Tabebuia impetiginosa

Identifiers

InChI

InChI=1S/C35H40O17/c1-44-22-11-7-20(13-25(22)46-3)32(42)49-16-35(43)17-50-34(30(35)40)48-15-26-27(37)28(38)29(39)33(52-26)51-23-10-4-18(12-24(23)45-2)14-47-31(41)19-5-8-21(36)9-6-19/h4-13,26-30,33-34,36-40,43H,14-17H2,1-3H3/t26-,27-,28+,29-,30+,33-,34-,35-/m1/s1

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InChIKey

YUFQOGRAQNFJCV-RXTZEMFQSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

YUFQOGRAQNFJCV-RXTZEMFQSA-N

1 reference

(Q105362806)

[(3S,4R,5R)-3,4-dihydroxy-5-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-[(4-hydroxybenzoyl)oxymethyl]-2-methoxyphenoxy]oxan-2-yl]methoxy]oxolan-3-yl]methyl 3,4-dimethoxybenzoate

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