(Q105158115)

English

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

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

alkyl caffeate ester

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mass

522.18898254 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₉H₃₀O₉

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canonical SMILES

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

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isomeric SMILES

COc1cc(C[C@@H]2CO[C@@H](c3ccc(O)c(OC)c3)[C@@H]2COC(=O)/C=C/c2ccc(O)c(O)c2)ccc1O

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found in taxon

Larix gmelinii var. olgensis

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stated in

Lignans from bark of Larix olgensis var. koreana

Identifiers

InChI

InChI=1S/C29H30O9/c1-35-26-13-18(4-8-23(26)31)11-20-15-38-29(19-6-9-24(32)27(14-19)36-2)21(20)16-37-28(34)10-5-17-3-7-22(30)25(33)12-17/h3-10,12-14,20-21,29-33H,11,15-16H2,1-2H3/b10-5+/t20-,21-,29+/m1/s1

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InChIKey

LVXBWQNYQALGLB-FUCYCWKWSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

LVXBWQNYQALGLB-FUCYCWKWSA-N

1 reference

(Q105158115)

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

Statements

Identifiers

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