John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=7ODXSMPL73X

(accessed ).
NEOTHEAFLAVIN-3-O-GALLATE
SpectraBase Compound ID 7ODXSMPL73X
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
InChIKey KMJPKUVSXFVQGZ-AHDOBCFOSA-N
Mol Weight 716.6 g/mol
Molecular Formula C36H28O16
Exact Mass 716.137735 g/mol
Enantiomer InChIKey KMJPKUVSXFVQGZ-UFWXUVOHSA-N
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent ACETONE-D6:D2O
Title Journal or Book Year
Theaflavate B, ISOTHEAFLAVIN-3′-O-GALLATE and NEOTHEAFLAVIN-3-O-GALLATE: three polyphenolic pigments from black tea Phytochemistry 1998
Unknown Identification

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