(Q105185751)

English

(2S)-2alpha-(3,5-Dimethoxy-4-hydroxyphenyl)-3beta-[[(Z)-3-(3-methoxy-4-hydroxyphenyl)propenoyl]oxymethyl]-4beta-(3,5-dimethoxy-4-hydroxybenzyl)tetrahydrofuran

chemical compound

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instance of

type of chemical entity

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subclass of

9-O-Feruloyl-5,5/'-dimethoxylariciresil

1 reference

based on heuristic

inferred from SMILES

mass

596.225761972 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(2S,3R,4R)-2-(4-hydroxy-3,5-dimethoxyphenyl)-4-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]oxolan-3-yl]methyl (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

1 reference

based on heuristic

inferred from InChIKey

[(2S,3R,4R)-2-(4-hydroxy-3,5-dimethoxyphenyl)-4-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]oxolan-3-yl]methyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₂H₃₆O₁₁

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canonical SMILES

O=C(OCC1C(OCC1CC2=CC(OC)=C(O)C(OC)=C2)C3=CC(OC)=C(O)C(OC)=C3)C=CC4=CC=C(O)C(OC)=C4

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isomeric SMILES

COc1cc(/C=C\C(=O)OC[C@@H]2[C@@H](c3cc(OC)c(O)c(OC)c3)OC[C@@H]2Cc2cc(OC)c(O)c(OC)c2)ccc1O

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found in taxon

Zanthoxylum avicennae

2 references

stated in

Neolignans, a coumarinolignan, lignan derivatives, and a chromene: anti-inflammatory constituents from Zanthoxylum avicennae

stated in

Neolignans, a coumarinolignan, lignan derivatives, and a chromene: anti-inflammatory constituents from Zanthoxylum avicennae

Identifiers

InChI

InChI=1S/C32H36O11/c1-37-24-11-18(6-8-23(24)33)7-9-29(34)42-17-22-21(10-19-12-25(38-2)30(35)26(13-19)39-3)16-43-32(22)20-14-27(40-4)31(36)28(15-20)41-5/h6-9,11-15,21-22,32-33,35-36H,10,16-17H2,1-5H3/b9-7-/t21-,22-,32+/m0/s1

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InChIKey

NTYDMYPTASSNQW-WHGAHGNWSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

NTYDMYPTASSNQW-WHGAHGNWSA-N

1 reference

(Q105185751)

(2S)-2alpha-(3,5-Dimethoxy-4-hydroxyphenyl)-3beta-[[(Z)-3-(3-methoxy-4-hydroxyphenyl)propenoyl]oxymethyl]-4beta-(3,5-dimethoxy-4-hydroxybenzyl)tetrahydrofuran

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