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Merck
CN

76418

Vescalagin

analytical standard

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About This Item

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

Key Documents

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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

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

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

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

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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Tannins and Related Compounds. XCVII.: Structure Revision of C-Glycosidic Ellagitannins, Castalagin, Vescalagin, Casuarinin and Stachyurin, and Related Hydrolyzable Tannins
NONAKA GI, et al.
Chemical & Pharmaceutical Bulletin, 38(8), 2151-2156 (1990)
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
Patrizia Comandini et al.
Food chemistry, 157, 290-295 (2014-04-01)
In the present investigation, an HPLC-DAD/ESI-MS method for the complete analysis of tannins and other phenolic compounds of different commercial chestnut bark samples was developed. A total of seven compounds (vescalin, castalin, gallic acid, vescalagin, 1-O-galloyl castalagin, castalagin and ellagic
Plant Polyphenols: Synthesis, Properties, Significance volume 59 of Basic Life Sciences
Plant Polyphenols: Synthesis, Properties, Significance (2012)
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)
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