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3,4,5-Trihydroxy-1,8-Bis[(2r,3r)-3,5,7-Trihydroxy-3,4-Dihydro-2h-Chromen-2-Yl]Benzo[7]Annulen-6-One

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3,4,5-Trihydroxy-1,8-Bis[(2R,3R)-3,5,7-Trihydroxy-3,4-Dihydro-2H-Chromen-2-Yl]Benzo[7]Annulen-6-One / CAS : 4670-05-7

Appearance solid UN -
HS 29329990 DG Class -
Synonyms Theaflavine; Theaflavin; Theaflavin 1; (-)-Theaflavin; Spectrum_000527; Specplus_000296
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Properties

Summary

Formula
C29H24O12
Molecular Mass
564.49400
Exact Mass
564.12700
PSA
196.35000
Logp
2.36450
IUPAC
3,4,6-trihydroxy-1,8-bis[(2R,3R)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl]benzo[7]annulen-5-one
SMILES
C1[C@H]([C@H](OC2=CC(=CC(=C21)O)O)C3=CC4=C(C(=C(C=C4C5C(CC6=C(C=C(C=C6O5)O)O)O)O)O)C(=O)C(=C3)O)O

Attribute classification

Matter Classification
organic
Category
API & Intermediate > Pharmaceutical Raw Materials
Plant and Other Extracts > Plant Extracts

Chemical and Physical Properties

Melting Point
237-240 °C
Density
1.87g/cm3
Boiling Point
1003.9ºC
Flash Point
336.5ºC
Appearance
solid
Acidity and Basicity
acidness

Export information

HS Code
29329990
Export Rebate
13%

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