(Q105281675)

English

(E)-3-[(2R,3S)-2-[4-[(1R,2S)-1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy-3,5-dimethoxyphenyl]-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]prop-2-enal

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

3-[2-[4-[1,3-Dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy-3,5-dimethoxyphenyl]-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]prop-2-enal

1 reference

based on heuristic

inferred from SMILES

(2R,3S)-2-[4-[2-Hydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-(hydroxymethyl)ethoxy]-3,5-dimethoxyphenyl]-2,3-dihydro-7-methoxy-5-(3-oxo-1-propenyl)benzofuran-3-methanol

1 reference

based on heuristic

inferred from SMILES

mass

582.210111908 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(E)-3-[(2S,3S)-2-[4-[(1R,2S)-1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy-3,5-dimethoxyphenyl]-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]prop-2-enal

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₃₁H₃₄O₁₁

0 references

canonical SMILES

O=CC=CC1=CC(OC)=C2OC(C3=CC(OC)=C(OC(CO)C(O)C4=CC=C(O)C(OC)=C4)C(OC)=C3)C(C2=C1)CO

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isomeric SMILES

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

Lonicera insularis

1 reference

stated in

7-feruloylloganin: an iridoid glucoside from stems of Lonicera insularis

Lonicera morrowii

1 reference

stated in

7-feruloylloganin: an iridoid glucoside from stems of Lonicera insularis

Identifiers

InChI

InChI=1S/C31H34O11/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/h5-14,21,27-29,33-36H,15-16H2,1-4H3/b6-5+/t21-,27+,28-,29+/m1/s1

0 references

InChIKey

UYNCCRHOWNHDMT-QFTNYOKLSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

UYNCCRHOWNHDMT-QFTNYOKLSA-N

(Q105281675)

(E)-3-[(2R,3S)-2-[4-[(1R,2S)-1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy-3,5-dimethoxyphenyl]-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]prop-2-enal

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