Theaflavin 3,3'-digallate

About This Item

Molecular Formula	C₄₃H₃₂O₂₀
CAS Number	30462-35-2

FC-0891412

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Properties

Chemical Identifiers

IUPAC Name	[2-[1-[5,7-dihydroxy-3-(3,4,5-trihydroxybenzoyl)oxy-3,4-dihydro-2H-chromen-2-yl]-3,4,6-trihydroxy-5-oxobenzo[7]annulen-8-yl]-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate
SMILES	C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC4=C(C(=C(C=C4C5C(CC6=C(C=C(C=C6O5)O)O)OC(=O)C7=CC(=C(C(=C7)O)O)O)O)O)C(=O)C(=C3)O)OC(=O)C8=CC(=C(C(=C8)O)O)O
InChI Key	ZEASWHWETFMWCV-UHFFFAOYSA-N

Physical Properties

Boiling Point	1324.7±65.0 °C at 760 mmHg
Melting Point	226 - 230 °C
Flash Point	402.9±27.8 °C
Density	2.0±0.1 g/cm3

Safety Information

Flash Point

402.9±27.8 °C

Please refer to the Safety Data Sheet (SDS) for complete handling, storage, and disposal instructions. Follow all applicable regulations when working with this chemical reagent.