John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=BaP8zf2rJtj SpectraBase Spectrum ID=L49k5hL86g4

(accessed ).
(2R,3S,4S)-2,3-TRANS-3,4-CIS-4-(2,4,6-TRIHYDROXYPHENYL)-3',4',5,7-TETRAHYDROXYFLAVAN-3-OL
SpectraBase Compound ID BaP8zf2rJtj
InChI InChI=1S/C21H18O9/c22-9-4-13(26)17(14(27)5-9)19-18-15(28)6-10(23)7-16(18)30-21(20(19)29)8-1-2-11(24)12(25)3-8/h1-7,19-29H/t19-,20-,21+/m0/s1
InChIKey OKJJBTUOKCQSPH-PCCBWWKXSA-N
Mol Weight 414.37 g/mol
Molecular Formula C21H18O9
Exact Mass 414.095082 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID L49k5hL86g4
Name (2R,3S,4S)-2,3-TRANS-3,4-CIS-4-(2,4,6-TRIHYDROXYPHENYL)-3',4',5,7-TETRAHYDROXYFLAVAN-3-OL
Compound Number 7
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H18O9
InChI InChI=1S/C21H18O9/c22-9-4-13(26)17(14(27)5-9)19-18-15(28)6-10(23)7-16(18)30-21(20(19)29)8-1-2-11(24)12(25)3-8/h1-7,19-29H/t19-,20-,21+/m0/s1
InChIKey OKJJBTUOKCQSPH-PCCBWWKXSA-N
Literature Reference Author P.W.VANZYL,L.P.STEYNBERG,E.V.BRANDT,D.FERREIRA
Literature Reference Citation MAGN.RES.CHEM.,31,1057(1993)
Literature Reference DOI 10.1002/mrc.1260311206
Molecular Weight 414.369 g/mol
Solvent ACETONE-D6:D2O=95:5
Source File Reference UWPR193
SpectraBase Batch ID 65YtrqjKBvW