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经验公式(希尔记法):
C43H32O20
化学文摘社编号:
分子量:
868.70
NACRES:
NA.24
PubChem Substance ID:
UNSPSC Code:
41116107
MDL number:
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
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 key
ZEASWHWETFMWCV-ISBUVJFSSA-N
grade
analytical standard
assay
≥90.0% (HPLC)
technique(s)
HPLC: suitable, gas chromatography (GC): suitable
application(s)
food and beverages
format
neat
storage temp.
−20°C
Quality Level
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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.
存储类别
11 - Combustible Solids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
ppe
Eyeshields, Gloves, type N95 (US)
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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