(Q105259321)

English

[(2R,3S,4S,5R,6R)-6-[[(1S,4R,5S,17R,19S,20R)-8,20-dihydroxy-19-(hydroxymethyl)-5-(4-hydroxyphenyl)-7,9-dimethoxy-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-[[8,20-Dihydroxy-19-(hydroxymethyl)-5-(4-hydroxyphenyl)-7,9-dimethoxy-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

734.205814376 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₄H₃₈O₁₈

0 references

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(OC)C5C4C6=CC=C(O)C=C6)C2O

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isomeric SMILES

COc1cc2c(c(OC)c1O)[C@H](c1ccc(O)cc1)[C@H]1C(=O)O[C@H]3[C@H](O)[C@@H](COC(=O)C1=C2)O[C@@]3(CO)O[C@H]1O[C@H](COC(C)=O)[C@@H](O)[C@H](O)[C@H]1O

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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/C34H38O18/c1-13(36)47-10-19-24(38)27(41)28(42)33(49-19)52-34(12-35)30-26(40)20(51-34)11-48-31(43)17-8-15-9-18(45-2)25(39)29(46-3)22(15)21(23(17)32(44)50-30)14-4-6-16(37)7-5-14/h4-9,19-21,23-24,26-28,30,33,35,37-42H,10-12H2,1-3H3/t19-,20-,21+,23+,24-,26-,27+,28-,30+,33-,34+/m1/s1

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InChIKey

SRNQCBWVXAEHOG-ZYPBWXCLSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

SRNQCBWVXAEHOG-ZYPBWXCLSA-N

1 reference

(Q105259321)

[(2R,3S,4S,5R,6R)-6-[[(1S,4R,5S,17R,19S,20R)-8,20-dihydroxy-19-(hydroxymethyl)-5-(4-hydroxyphenyl)-7,9-dimethoxy-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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