(Q104971816)

English

(E)-3-(4-Hydroxy-3-methoxyphenyl)propenoic acid (2R,3R)-2-[2-methoxy-4-[3-[[(E)-3-(4-hydroxy-3-methoxyphenyl)propenoyl]oxy]propyl]phenoxy]-3-hydroxy-3-(4-hydroxy-3-methoxyphenyl)propyl ester

chemical compound

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instance of

type of chemical entity

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subclass of

3-[4-[1-Hydroxy-1-(4-hydroxy-3-methoxyphenyl)-3-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyloxy]propan-2-yl]oxy-3-methoxyphenyl]propyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

730.262541404 dalton

1 reference

2 references

inferred from InChIKey

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

3-[4-[(1R,2S)-1-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-3-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxypropan-2-yl]oxy-3-methoxyphenyl]propyl (Z)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₄₀H₄₂O₁₃

0 references

canonical SMILES

O=C(OCCCC1=CC=C(OC(COC(=O)C=CC2=CC=C(O)C(OC)=C2)C(O)C3=CC=C(O)C(OC)=C3)C(OC)=C1)C=CC4=CC=C(O)C(OC)=C4

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isomeric SMILES

COc1cc(/C=C/C(=O)OCCCc2ccc(O[C@H](COC(=O)/C=C/c3ccc(O)c(OC)c3)[C@H](O)c3ccc(O)c(OC)c3)c(OC)c2)ccc1O

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found in taxon

Hibiscus taiwanensis

1 reference

stated in

Cytotoxicity of phenylpropanoid esters from the stems of Hibiscus taiwanensis

Identifiers

InChI

InChI=1S/C40H42O13/c1-47-33-20-26(7-13-29(33)41)10-17-38(44)51-19-5-6-25-9-16-32(36(22-25)50-4)53-37(40(46)28-12-15-31(43)35(23-28)49-3)24-52-39(45)18-11-27-8-14-30(42)34(21-27)48-2/h7-18,20-23,37,40-43,46H,5-6,19,24H2,1-4H3/b17-10+,18-11+/t37-,40-/m1/s1

0 references

InChIKey

CXFBVHGWTGTGBR-HCGIBTNDSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

CXFBVHGWTGTGBR-HCGIBTNDSA-N

1 reference

(Q104971816)

(E)-3-(4-Hydroxy-3-methoxyphenyl)propenoic acid (2R,3R)-2-[2-methoxy-4-[3-[[(E)-3-(4-hydroxy-3-methoxyphenyl)propenoyl]oxy]propyl]phenoxy]-3-hydroxy-3-(4-hydroxy-3-methoxyphenyl)propyl ester

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