(Q105178702)

English

3,4-Dimethoxybenzoic acid 3-methoxy-4-[6-O-[5-O-(3,4-dimethoxybenzoyl)-D-apio-beta-D-furanosyl]-beta-D-glucopyranosyloxy]benzyl ester

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

[4-[6-[[4-[(3,4-Dimethoxybenzoyl)oxymethyl]-3,4-dihydroxyoxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-3-methoxyphenyl]methyl 3,4-dimethoxybenzoate

1 reference

based on heuristic

inferred from SMILES

mass

776.252764568 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₇H₄₄O₁₈

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canonical SMILES

O=C(OCC1=CC=C(OC2OC(COC3OCC(O)(COC(=O)C4=CC=C(OC)C(OC)=C4)C3O)C(O)C(O)C2O)C(OC)=C1)C5=CC=C(OC)C(OC)=C5

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isomeric SMILES

COc1ccc(C(=O)OCc2ccc(O[C@@H]3O[C@H](CO[C@@H]4OC[C@](O)(COC(=O)c5ccc(OC)c(OC)c5)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)c(OC)c2)cc1OC

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found in taxon

Handroanthus impetiginosum

1 reference

stated in

Constituents from the bark of Tabebuia impetiginosa

Handroanthus impetiginosus

1 reference

stated in

Constituents from the bark of Tabebuia impetiginosa

Identifiers

InChI

InChI=1S/C37H44O18/c1-45-22-10-7-20(13-26(22)48-4)33(42)50-15-19-6-9-24(25(12-19)47-3)54-35-31(40)30(39)29(38)28(55-35)16-51-36-32(41)37(44,18-53-36)17-52-34(43)21-8-11-23(46-2)27(14-21)49-5/h6-14,28-32,35-36,38-41,44H,15-18H2,1-5H3/t28-,29-,30+,31-,32+,35-,36-,37-/m1/s1

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InChIKey

NFUXKMNPXOYFNF-RXNSQNOXSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

NFUXKMNPXOYFNF-RXNSQNOXSA-N

1 reference

(Q105178702)

3,4-Dimethoxybenzoic acid 3-methoxy-4-[6-O-[5-O-(3,4-dimethoxybenzoyl)-D-apio-beta-D-furanosyl]-beta-D-glucopyranosyloxy]benzyl ester

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