(-)-Gallocatechin gallate

Datasheet MSDS
Catalog Number
ANC00007
Product Name
(-)-Gallocatechin gallate
Structure
(-)-Gallocatechin gallate
CAS Number
4233-96-9
IUPAC Name
[(2S,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate
Synonyms
(2S,3R)-2-(3,4,5-Trihydroxyphenyl)-3,4-dihydro-1(2H)-benzopyran-3,5,7-triol3-(3,4,5-trihydroxybenzoate)
Molecular Formula
C22H18O11
Molecular Weight
458.4
Appearance
White powder
Purity
>98%
Density
1.90±0.1g/cm3 (Predicted)
Boiling Point
909.1±65.0°C (Predicted)
Storage
2-8°C
Description
(-)-Gallocatechin gallate is a polyphenol in tea, which has anti-cancer effects.
SMILES
C1[C@H]([C@@H](OC2=CC(=CC(=C21)O)O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O
InChI
InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21+/m1/s1
InChI Key
WMBWREPUVVBILR-NQIIRXRSSA-N
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