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61221

Supelco

Castalagin

analytical standard

Synonym(s):

(33β)-Vescalagin, NSC 297535

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About This Item

Empirical Formula (Hill Notation):
C41H26O26
CAS Number:
24312-00-3
Molecular Weight:
934.63
UNSPSC Code:
85151701
NACRES:
NA.24

grade

analytical standard

Assay

≥95.0% (HPLC)

shelf life

limited shelf life, expiry date on the label

impurities

≤15.0% water

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

InChI key

UDYKDZHZAKSYCO-UHFFFAOYSA-N

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General description

Castalagin is a polyphenol that is mainly present in oak and chestnut wood. It belongs to the class of hydrolyzable tannins or ellagitannins that is reported to exhibit anti-inflammatory, anticancer, antioxidant, and antibacterial properties. The anti-herpes virus activity of the compound is also investigated.

Application

Castalagin may be used as an analytical standard for the determination of the analyte in oak species, and various parts of white strawberry species by chromatography 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
BCCJ6837
BCCH6815
BCCF8115
BCCF3390
BCCD8378

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Ellagitannins and Flavano-Ellagitannins: Red Wines Tendency in Different Areas, Barrel Origin and Ageing Time in Barrel and Bottle
Rasines-Perea Z, et al.
Food Chemistry, 9(8), 316-316 (2019)
Three-dimensional analysis of combination effect of ellagitannins and acyclovir on herpes simplex virus types 1 and 2
Vilhelmova N, et al.
Antiviral Research, 89(2), 174-181 (2011)
Polyphenolic compounds as chemical markers of wine ageing in contact with cherry, chestnut, false acacia, ash and oak wood
de Simon BF, et al.
Food Chemistry, 143, 66-76 (2014)
Analysis of oak tannins by liquid chromatography-electrospray ionisation mass spectrometry
Mammela P, et al.
Journal of Chromatography A, 891(1), 75-83 (2000)
Determination of phenolic composition and antioxidant activity in fruits, rhizomes and leaves of the white strawberry (Fragaria chiloensis spp. chiloensis form chiloensis) using HPLC-DAD-ESI-MS and free radical quenching techniques
Simirgiotis MJ and Schmeda-Hirschmann G
Journal of food composition and analysis, 23(6), 545-553 (2010)
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