76418

Vescalagin

analytical standard

• Empirical Formula (Hill Notation): C₄₁H₂₆O₂₆
• CAS Number: 36001-47-5
• Molecular Weight: 934.63
• UNSPSC Code: 85151701
• NACRES: NA.24

Properties

• grade: analytical standard
• assay: ≥95.0% (HPLC)
• shelf life: limited shelf life, expiry date on the label
• impurities: ≤15.0% water (Karl Fischer)
• application(s): food and beverages
• format: neat
• shipped in: wet ice
• Storage temp.: −20°C
• SMILES string: O=C(C1=CC(O)=C(O)C(O)=C1C2=C(C(OC[C@@]3([H])O4)=O)C=C(O)C(O)=C2O)O[C@@]3([H])[C@H](O5)[C@@]([C@@H]6O)([H])OC(C7=C6C(O)=C(O)C(O)=C7C8=C(O)C(O)=C(O)C(C9=C(O)C(O)=C(O)C=C9C4=O)=C8C5=O)=O
• InChI: 1S/C41H26O26/c42-8-1-5-12(24(48)21(8)45)13-6(2-9(43)22(46)25(13)49)39(60)65-34-11(4-63-37(5)58)64-38(59)7-3-10(44)23(47)26(50)14(7)15-18-16(28(52)32(56)27(15)51)17-19-20(30(54)33(57)29(17)53)31(55)35(66-41(19)62)36(34)67-40(18)61/h1-3,11,31,34-36,42-57H,4H2/t11?,31-,34-,35-,36?/m1/s1
• Inchi Key: UDYKDZHZAKSYCO-OHJDNFKWSA-N

Description

General description

Vescalagin, an ester derivative of open-chain D-glucose, is a C-glycosidic ellagitannin widely present as a principal phenolic metabolite in various plant species.[1][2][3]

Application

Vescalagin may be used as an analytical standard for the determination of the analyte in oak tannins,[4] chestnut bark samples (Castanea sativa Mill.),[5] wine,[6] fruit samples,[7] and vegetable tanning agents[8] by liquid chromatography (LC) based techniques.

Safety Information

• Storage Class: 11 - Combustible Solids
• wgk_germany: WGK 3
• flash_point_f: Not applicable
• flash_point_c: Not applicable