Theaflavine-3-Gallate(P)

Analyte Name

Theaflavine-3-gallate

CAS Number

30462-34-1

Molecular Formula

C36 H28 O16

Molecular Weight

716.60

Accurate Mass

716.1377

Appearance/Form

Powder

Color

Red-brown

Odor

Odourless

SMILES

O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c3cc(O)c(O)c4C(=O)C(=CC(=Cc34)[C@H]5Oc6cc(O)cc(O)c6C[C@H]5OC(=O)c7cc(O)c(O)c(O)c7)O

InChI

InChI=1S/C36H28O16/c37-14-5-20(39)18-10-26(45)35(51-27(18)7-14)17-9-25(44)33(48)30-16(17)1-12(2-24(43)32(30)47)34-29(11-19-21(40)6-15(38)8-28(19)50-34)52-36(49)13-3-22(41)31(46)23(42)4-13/h1-9,26,29,34-35,37-42,44-46,48H,10-11H2,(H,43,47)/t26-,29-,34-,35-/m1/s1

IUPAC

[(2R,3R)-5,7-dihydroxy-2-[3,4,6-trihydroxy-5-oxo-1-[(2R,3R)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl]benzo[7]annulen-8-yl]-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate

Storage Temperature

-20°C

Shipping Temperature

Ice pack (-20°C)

Country of Origin

UNITED STATES

Tariff Code

29329900

Product Format

Neat