(Q105200695)

English

3-[(2R,3R)-2-(4-hydroxy-3-methoxyphenyl)-3-[[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxymethyl]-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]propyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

chemical compound

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type of chemical entity

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712.25197672 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(2R,3S)-2-(4-hydroxy-3-methoxyphenyl)-5-(3-{[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}propyl)-7-methoxy-2,3-dihydro-1-benzofuran-3-yl]methyl (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

1 reference

based on heuristic

inferred from InChI

3-[(2S,3R)-2-(4-hydroxy-3-methoxyphenyl)-3-[[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxymethyl]-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]propyl (Z)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₄₀H₄₀O₁₂

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canonical SMILES

O=C(OCCCC1=CC(OC)=C2OC(C3=CC=C(O)C(OC)=C3)C(C2=C1)COC(=O)C=CC4=CC=C(O)C(OC)=C4)C=CC5=CC=C(O)C(OC)=C5

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isomeric SMILES

COc1cc(/C=C/C(=O)OCCCc2cc(OC)c3c(c2)[C@H](COC(=O)/C=C/c2ccc(O)c(OC)c2)[C@H](c2ccc(O)c(OC)c2)O3)ccc1O

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found in taxon

Durio zibethinus

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stated in

Secondary Metabolites from the Wood Bark ofDuriozibethinusandDuriokutejensis

stated in

Secondary Metabolites from the Wood Bark ofDurio zibethinusandDurio kutejensis

Hibiscus taiwanensis

1 reference

stated in

Constituents from the stems of Hibiscus taiwanensis.

Identifiers

InChI

InChI=1S/C40H40O12/c1-46-33-19-24(7-12-30(33)41)9-15-37(44)50-17-5-6-26-18-28-29(23-51-38(45)16-10-25-8-13-31(42)34(20-25)47-2)39(52-40(28)36(21-26)49-4)27-11-14-32(43)35(22-27)48-3/h7-16,18-22,29,39,41-43H,5-6,17,23H2,1-4H3/b15-9+,16-10+/t29-,39-/m0/s1

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InChIKey

OVFZHMPISOASDF-IBPFXGGYSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

OVFZHMPISOASDF-IBPFXGGYSA-N

(Q105200695)

3-[(2R,3R)-2-(4-hydroxy-3-methoxyphenyl)-3-[[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxymethyl]-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]propyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

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