(Q105185984)

English

[(1R,10R,11R,18R,19R,21S,22S)-6,7,11,12,12-pentahydroxy-3,13,16-trioxo-21,22-bis[(3,4,5-trihydroxybenzoyl)oxy]-2,17,20,23-tetraoxapentacyclo[16.3.1.18,11.04,9.010,15]tricosa-4,6,8,14-tetraen-19-yl]methyl 3,4,5-trihydroxybenzoate

chemical compound

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Statements

type of chemical entity

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[6,7,11,12,12-pentahydroxy-3,13,16-trioxo-21,22-bis(3,4,5-trihydroxybenzoyloxy)-2,17,20,23-tetraoxapentacyclo[16.3.1.1⁸,¹¹.0⁴,⁹.0¹⁰,¹⁵]tricosa-4,6,8,14-tetraen-19-yl]methyl 3,4,5-trihydroxybenzoate

1 reference

based on heuristic

inferred from SMILES

1 reference

based on heuristic

inferred from SMILES

954.0974457 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₄₁H₃₀O₂₇

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canonical SMILES

O=C(OCC1OC(OC(=O)C2=CC(O)=C(O)C(O)=C2)C3OC(=O)C4=CC(O)=C(O)C=5OC6(O)C(C(=CC(=O)C6(O)O)C(=O)OC1C3OC(=O)C7=CC(O)=C(O)C(O)=C7)C54)C8=CC(O)=C(O)C(O)=C8

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isomeric SMILES

O=C1O[C@H]2[C@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@@H](OC(=O)c3cc(O)c(O)c4c3[C@@H]3C1=CC(=O)C(O)(O)[C@]3(O)O4)[C@H](OC(=O)c1cc(O)c(O)c(O)c1)O[C@@H]2COC(=O)c1cc(O)c(O)c(O)c1

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Euphorbia helioscopia

2 references

Tannins and related compounds. XCV. Isolation and characterization of helioscopinins and helioscopins, four new hydrolyzable tannins from Euphorbia helioscopia L. (1)

Tannins and related compounds. CV. Monomeric and dimeric hydrolyzable tannins having a dehydrohexahydroxydiphenoyl group, supinanin, euphorscopin, euphorhelin and jolkianin, from euphorbia species.

Euphorbia hirta

1 reference

Tannins and related polyphenols of euphorbiaceous plants. IV. Euphorbins A and B, novel dimeric dehydroellagitannins from Euphorbia hirta L.

Identifiers

InChI=1S/C41H30O27/c42-15-1-10(2-16(43)26(15)50)34(54)62-9-22-30-32(65-35(55)11-3-17(44)27(51)18(45)4-11)33(39(63-22)67-36(56)12-5-19(46)28(52)20(47)6-12)66-37(57)13-7-21(48)29(53)31-24(13)25-14(38(58)64-30)8-23(49)40(59,60)41(25,61)68-31/h1-8,22,25,30,32-33,39,42-48,50-53,59-61H,9H2/t22-,25+,30-,32+,33-,39+,41-/m1/s1

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NUPTUAXNMUIMFS-ZZFVZTRASA-N

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2 references

15 September 2022

matched by identifier from

NUPTUAXNMUIMFS-ZZFVZTRASA-N

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