(Q105200882)

English

(2R)-2-hydroxy-3-[(E)-(1R,2R,3S,4S)-3-{[(2R)-2-hydroxy-3-{[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}propoxy]carbonyl}-2,4-bis(4-hydroxyphenyl)cyclobutanecarbonyloxy]propyl (2E)-3-(4-hydroxyphenyl)prop-2-enoate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

chemical compound

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mass

768.24180596 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₄₂H₄₀O₁₄

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canonical SMILES

O=C(OCC(O)COC(=O)C1C(C2=CC=C(O)C=C2)C(C(=O)OCC(O)COC(=O)C=CC3=CC=C(O)C=C3)C1C4=CC=C(O)C=C4)C=CC5=CC=C(O)C=C5

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isomeric SMILES

O=C(/C=C/c1ccc(O)cc1)OC[C@@H](O)COC(=O)[C@H]1[C@H](c2ccc(O)cc2)[C@H](C(=O)OC[C@H](O)COC(=O)/C=C/c2ccc(O)cc2)[C@H]1c1ccc(O)cc1

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found in taxon

Epichloe typhina

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stated in

Three phenolic acid derivatives from stromata of Epichloe typhina on Phleum pratense

Identifiers

InChI

InChI=1S/C42H40O14/c43-29-11-1-25(2-12-29)5-19-35(49)53-21-33(47)23-55-41(51)39-37(27-7-15-31(45)16-8-27)40(38(39)28-9-17-32(46)18-10-28)42(52)56-24-34(48)22-54-36(50)20-6-26-3-13-30(44)14-4-26/h1-20,33-34,37-40,43-48H,21-24H2/b19-5+,20-6+/t33-,34-,37-,38-,39-,40-/m1/s1

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InChIKey

OVNMUAZKKIXMSH-IMEJXPHZSA-N

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(Q105200882)

(2R)-2-hydroxy-3-[(E)-(1R,2R,3S,4S)-3-{[(2R)-2-hydroxy-3-{[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}propoxy]carbonyl}-2,4-bis(4-hydroxyphenyl)cyclobutanecarbonyloxy]propyl (2E)-3-(4-hydroxyphenyl)prop-2-enoate

Statements

Identifiers

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