SpectraBase Spectrum ID |
ADipRbY3Bnm |
Name |
NEOTHEAFLAVIN-3-O-GALLATE |
Compound Number |
3 |
Copyright |
Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
Formula |
C36H28O16 |
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 |
Literature Reference Author |
J.R.LEWIS,A.L.DAVIS,Y.CAI,A.P.DAVIES,J.P.G.WILKINS,M.PENNING
TON |
Literature Reference Citation |
PHYTOCHEM.,49,2511(1998) |
Literature Reference DOI |
10.1016/S0031-9422(98)00153-8 |
Molecular Weight |
716.609 g/mol |
Solvent |
ACETONE-D6:D2O |
Source File Reference |
UWLU1116 |