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Merck
CN

92223

Supelco

Theaflavin 3,3′-digallate

analytical standard

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About This Item

Empirical Formula (Hill Notation):
C43H32O20
CAS Number:
30462-35-2
Molecular Weight:
868.70
MDL number:
MFCD06797365
UNSPSC Code:
41116107
PubChem Substance ID:
329769877
NACRES:
NA.24

Key Documents

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grade

analytical standard

Quality Level

100

Assay

≥90.0% (HPLC)

technique(s)

HPLC: suitable
gas chromatography (GC): suitable

application(s)

food and beverages

format

neat

storage temp.

−20°C

SMILES string

Oc1cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](Oc2c1)C4=Cc5c(cc(O)c(O)c5C(=O)C(O)=C4)[C@H]6Oc7cc(O)cc(O)c7C[C@H]6OC(=O)c8cc(O)c(O)c(O)c8

InChI

1S/C43H32O20/c44-17-7-23(46)21-12-33(62-42(58)15-3-25(48)36(54)26(49)4-15)40(60-31(21)9-17)14-1-19-20(11-30(53)39(57)35(19)38(56)29(52)2-14)41-34(13-22-24(47)8-18(45)10-32(22)61-41)63-43(59)16-5-27(50)37(55)28(51)6-16/h1-11,33-34,40-41,44-51,53-55,57H,12-13H2,(H,52,56)/t33-,34-,40-,41-/m1/s1

InChI key

ZEASWHWETFMWCV-ISBUVJFSSA-N

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General description

Theaflavin 3,3′-digallate is a theaflavin derivative, exhibiting antioxidative, anti-inflammatory, and anti-tumor activities. It is also associated with many beneficial health effects, including the prevention of cancer and heart disease.

Application

Refer to the product′s Certificate of Analysis for more information on a suitable instrument technique. Contact Technical Service for further support.
Theaflavin 3,3′-digallate may be used as an analytical reference standard for the quantification of the analyte in tea samples using high-performance liquid chromatography with tandem mass spectrometric detection.

Packaging

Bottomless glass bottle. Contents are inside inserted fused cone.

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
BCCC9077
BCBZ3795
BCBT5904
BCBQ8207V

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Simultaneous determination of eight catechins and four theaflavins in green, black and oolong tea using new HPLC?MS?MS method
Tao W, et al.
Journal of Pharmaceutical and Biomedical Analysis, 131(41), 140-145 (2016)
Structural identification of mouse fecal metabolites of theaflavin 3, 3?-digallate using liquid chromatography tandem mass spectrometry
Chen H, et al.
Journal of Chromatography A, 1218(41), 7297-7306 (2011)
Susanne M Henning et al.
The Prostate, 75(5), 550-559 (2014-12-30)
Preclinical and epidemiologic studies suggest chemopreventive effects of green tea (GT) and black tea (BT) in prostate cancer. In the current study we determined the effect of GT and BT consumption on biomarkers related to prostate cancer development and progression.

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