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Merck
CN

76418

Vescalagin

analytical standard

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关于此项目

经验公式(希尔记法):
C41H26O26
化学文摘社编号:
分子量:
934.63
NACRES:
NA.24
UNSPSC Code:
85151701
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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

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.

Application

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


存储类别

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable



历史批次信息供参考:

分析证书(COA)

Lot/Batch Number

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María Navarro et al.
Food chemistry, 226, 23-31 (2017-03-04)
A new method for the analysis of ellagitannins observed in oak-aged wine is proposed, exhibiting interesting advantages with regard to previously reported analytical methods. The necessary extraction of ellagitannins from wine was simplified to a single step of solid phase
RP-HPLC-UV-ESI-MS phytochemical analysis of fruits of Conocarpus erectus L.
Abdel-Hameed ESS, et al.
Chemical Papers, 68(10), 1358-1367 (2014)
P Mämmelä et al.
Journal of chromatography. A, 891(1), 75-83 (2000-09-22)
Extractable tannins were analysed by liquid chromatography-electrospray ionisation mass spectrometry in two oak species, North American white oak (Quercus alba) and European red oak (Quercus robur). They mainly included various glucose gallic and ellagic acid esters. The structures were partially