(Q105168852)

English

(2R,3R)-2,3-bis[(4-hydroxy-3-methoxyphenyl)methyl]-4-{[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}butyl (2E)-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

1,4-O-Diferuloylsecoisolariciresinol

1 reference

based on heuristic

inferred from SMILES

mass

714.267626784 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

Di-(Z)-feruloylsecoisolariciresinol

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

[(2R,3R)-2,3-bis[(4-hydroxy-3-methoxyphenyl)methyl]-4-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyloxy]butyl] 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₄₀H₄₂O₁₂

0 references

canonical SMILES

O=C(OCC(CC1=CC=C(O)C(OC)=C1)C(COC(=O)C=CC2=CC=C(O)C(OC)=C2)CC3=CC=C(O)C(OC)=C3)C=CC4=CC=C(O)C(OC)=C4

0 references

isomeric SMILES

COc1cc(/C=C/C(=O)OC[C@H](Cc2ccc(O)c(OC)c2)[C@H](COC(=O)/C=C/c2ccc(O)c(OC)c2)Cc2ccc(O)c(OC)c2)ccc1O

0 references

found in taxon

Microtropis japonica

3 references

stated in

Dihydroagarofuranoid sesquiterpenes, a lignan derivative, a benzenoid, and antitubercular constituents from the stem of Microtropis japonica

stated in

Dihydroagarofuranoid sesquiterpenes, a lignan derivative, a benzenoid, and antitubercular constituents from the stem of Microtropis japonica

stated in

Dihydroagarofuranoid sesquiterpenes, a lignan derivative, a benzenoid, and antitubercular constituents from the stem of Microtropis japonica

Betula ermanii

1 reference

stated in

Chemical Evaluation of Betula Species in Japan. I. Constituents of Betula ermanii.

Hibiscus taiwanensis

1 reference

stated in

Cytotoxicity of phenylpropanoid esters from the stems of Hibiscus taiwanensis

Hypericum chinense

1 reference

stated in

Acylphloroglucinol, biyouyanagiol, biyouyanagin B, and related spiro-lactones from Hypericum chinense.

Machilus thunbergii

1 reference

stated in

A butanolide and phenolics from Machilus thunbergii

Xanthium sibiricum

1 reference

stated in

Chemical constituents from the roots of Xanthium sibiricum

Xanthium strumarium

1 reference

stated in

Chemical constituents from the roots of Xanthium sibiricum

Trichosanthes kirilowii

1 reference

stated in

Hanultarin, a cytotoxic lignan as an inhibitor of actin cytoskeleton polymerization from the seeds of Trichosanthes kirilowii

Hypericum japonicum

1 reference

stated in

Acylphloroglucinol, biyouyanagiol, biyouyanagin B, and related spiro-lactones from Hypericum chinense.

Identifiers

InChI

InChI=1S/C40H42O12/c1-47-35-19-25(5-11-31(35)41)9-15-39(45)51-23-29(17-27-7-13-33(43)37(21-27)49-3)30(18-28-8-14-34(44)38(22-28)50-4)24-52-40(46)16-10-26-6-12-32(42)36(20-26)48-2/h5-16,19-22,29-30,41-44H,17-18,23-24H2,1-4H3/b15-9 ,16-10 /t29-,30-/m0/s1

0 references

InChIKey

MOFDLYLEJWQRHD-KYHQCPCQSA-N

0 references

CAS Registry Number

56973-66-1

1 reference

stated in

CAS (formerly Chemical Abstracts Service)

25 January 2022

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

MOFDLYLEJWQRHD-KYHQCPCQSA-N

1 reference

1 reference

matched by identifier from

InChIKey

MOFDLYLEJWQRHD-KYHQCPCQSA-N

(Q105168852)

(2R,3R)-2,3-bis[(4-hydroxy-3-methoxyphenyl)methyl]-4-{[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}butyl (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

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