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Merck
CN

76418

Supelco

Vescalagin

analytical standard

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About This Item

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

Key Documents

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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

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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.

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

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Certificates of Analysis (COA)

Lot/Batch Number
BCCH4738
BCCF9795
BCCF8123
BCCF3393
BCCF2304

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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)
Plant Polyphenols: Synthesis, Properties, Significance volume 59 of Basic Life Sciences
Plant Polyphenols: Synthesis, Properties, Significance (2012)
Britta Zywicki et al.
Journal of chromatography. A, 970(1-2), 191-200 (2002-09-28)
Commercial vegetable tanning agents that are derived from plants and consist of condensed or hydrolyzable tannins were analyzed by electrospray ionization-tandem mass spectrometry (ESI-MS/MS) to identify their major constituents and to study their collision-induced dissociation. In the condensed tannin wattle
Recent Advances in Polyphenol Research
Recent Advances in Polyphenol Research (2011)
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