(Q105150043)

English

(1R,2S)-1-(4-hydroxy-3-methoxyphenyl)-2-[4-[(2S,3S)-3-(hydroxymethyl)-5-[(E)-3-hydroxyprop-1-enyl]-7-methoxy-2,3-dihydro-1-benzofuran-2-yl]-2,6-dimethoxyphenoxy]propane-1,3-diol

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

erythro-Guaiacylglycerol-|A-O-4'-dehydrodisinapyl ether

1 reference

based on heuristic

inferred from SMILES

mass

584.225761972 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(1R,2S)-1-(4-hydroxy-3-methoxyphenyl)-2-[4-[(2S,3R)-3-(hydroxymethyl)-5-[(E)-3-hydroxyprop-1-enyl]-7-methoxy-2,3-dihydro-1-benzofuran-2-yl]-2,6-dimethoxyphenoxy]propane-1,3-diol

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₃₁H₃₆O₁₁

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canonical SMILES

OC1=CC=C(C=C1OC)C(O)C(OC2=C(OC)C=C(C=C2OC)C3OC4=C(OC)C=C(C=CCO)C=C4C3CO)CO

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isomeric SMILES

COc1cc([C@@H](O)[C@H](CO)Oc2c(OC)cc([C@H]3Oc4c(OC)cc(/C=C/CO)cc4[C@H]3CO)cc2OC)ccc1O

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found in taxon

Buddleja davidii

1 reference

stated in

Lignans and neolignans from Buddleja davidii

Echinacea purpurea

1 reference

stated in

Structure and accumulation of phenolics in elicited Echinacea purpurea cell cultures

Ehretia matthewii

1 reference

stated in

Phenolic glucosides and lignans from Ehretia ovalifolia

Identifiers

InChI

InChI=1S/C31H36O11/c1-37-23-12-18(7-8-22(23)35)28(36)27(16-34)41-31-25(39-3)13-19(14-26(31)40-4)29-21(15-33)20-10-17(6-5-9-32)11-24(38-2)30(20)42-29/h5-8,10-14,21,27-29,32-36H,9,15-16H2,1-4H3/b6-5+/t21-,27+,28-,29-/m1/s1

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InChIKey

LCXGTSCVCJANHX-XKIICCMRSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q105150043)

(1R,2S)-1-(4-hydroxy-3-methoxyphenyl)-2-[4-[(2S,3S)-3-(hydroxymethyl)-5-[(E)-3-hydroxyprop-1-enyl]-7-methoxy-2,3-dihydro-1-benzofuran-2-yl]-2,6-dimethoxyphenoxy]propane-1,3-diol

Statements

Identifiers

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