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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
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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.

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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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)
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)
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