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PHL83344

Theaflavin 3,3′-digallate

phyproof® Reference Substance

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About This Item

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

primary reference standard

product line

phyproof® Reference Substance

assay

≥90.0% (HPLC)

form

crystals

manufacturer/tradename

PhytoLab

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

General description

This substance is a primary reference substance with assigned absolute purity (considering chromatographic purity, water, residual solvents, inorganic impurities). The exact value can be found on the certificate. Produced by PhytoLab GmbH & Co. KG

Legal Information

phyproof is a registered trademark of PhytoLab GmbH & Co. KG

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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
130092
99889853

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