(Q105123299)

English

[(2R,3S,4S,5R,6R)-6-[[(1S,4R,5S,17R,19S,20R)-5-(2,5-dimethoxyphenyl)-7,8,20-trihydroxy-19-(hydroxymethyl)-9-methoxy-3,14-dioxo-2,15,18-trioxatetracyclo[15.2.1.04,13.06,11]icosa-6,8,10,12-tetraen-19-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl acetate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

[6-[[5-(2,5-Dimethoxyphenyl)-7,8,20-trihydroxy-19-(hydroxymethyl)-9-methoxy-3,14-dioxo-2,15,18-trioxatetracyclo[15.2.1.04,13.06,11]icosa-6,8,10,12-tetraen-19-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl acetate

1 reference

based on heuristic

inferred from SMILES

mass

764.21637906 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₅H₄₀O₁₉

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canonical SMILES

O=C1OCC2OC(OC3OC(COC(=O)C)C(O)C(O)C3O)(CO)C(OC(=O)C4C1=CC=5C=C(OC)C(O)=C(O)C5C4C6=CC(OC)=CC=C6OC)C2O

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isomeric SMILES

COc1ccc(OC)c([C@H]2c3c(cc(OC)c(O)c3O)C=C3C(=O)OC[C@H]4O[C@@](CO)(O[C@H]5O[C@H](COC(C)=O)[C@@H](O)[C@H](O)[C@H]5O)[C@@H](OC(=O)[C@@H]32)[C@@H]4O)c1

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found in taxon

Eritrichium pauciflorum

2 references

stated in

Lignan oligosaccharide esters from Eritrichium rupestre

stated in

Lignan oligosaccharide esters from Eritrichium rupestre

Eritrichium rupestre

2 references

stated in

Lignan oligosaccharide esters from Eritrichium rupestre

stated in

Lignan oligosaccharide esters from Eritrichium rupestre

Eritrichium splendens

2 references

stated in

Lignan oligosaccharide esters from Eritrichium rupestre

stated in

Lignan oligosaccharide esters from Eritrichium rupestre

Identifiers

InChI

InChI=1S/C35H40O19/c1-13(37)49-10-20-26(39)29(42)30(43)34(51-20)54-35(12-36)31-27(40)21(53-35)11-50-32(44)17-7-14-8-19(48-4)25(38)28(41)22(14)23(24(17)33(45)52-31)16-9-15(46-2)5-6-18(16)47-3/h5-9,20-21,23-24,26-27,29-31,34,36,38-43H,10-12H2,1-4H3/t20-,21-,23+,24+,26-,27-,29+,30-,31+,34-,35+/m1/s1

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InChIKey

IZLRSYIJFYFBRU-ANWQJWFLSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

IZLRSYIJFYFBRU-ANWQJWFLSA-N

1 reference

(Q105123299)

[(2R,3S,4S,5R,6R)-6-[[(1S,4R,5S,17R,19S,20R)-5-(2,5-dimethoxyphenyl)-7,8,20-trihydroxy-19-(hydroxymethyl)-9-methoxy-3,14-dioxo-2,15,18-trioxatetracyclo[15.2.1.04,13.06,11]icosa-6,8,10,12-tetraen-19-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl acetate

Statements

Identifiers

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