John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=JTfJxqzgmkh SpectraBase Spectrum ID=KQ2OJAiqPYz

(accessed ).
(2R,3S,4S)-2,3-TRANS-3,4-CIS-4-(2,4,6-TRIHYDROXYPHENYL)-3',4',7-TRIHYDROXYFLAVAN-3-OL
SpectraBase Compound ID JTfJxqzgmkh
InChI InChI=1S/C21H18O8/c22-10-2-3-12-17(8-10)29-21(9-1-4-13(24)14(25)5-9)20(28)18(12)19-15(26)6-11(23)7-16(19)27/h1-8,18,20-28H/t18-,20+,21-/m1/s1
InChIKey QFRLUBGNRQIORT-HLAWJBBLSA-N
Mol Weight 398.37 g/mol
Molecular Formula C21H18O8
Exact Mass 398.100168 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KQ2OJAiqPYz
Name (2R,3S,4S)-2,3-TRANS-3,4-CIS-4-(2,4,6-TRIHYDROXYPHENYL)-3',4',7-TRIHYDROXYFLAVAN-3-OL
Compound Number 5
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Formula C21H18O8
InChI InChI=1S/C21H18O8/c22-10-2-3-12-17(8-10)29-21(9-1-4-13(24)14(25)5-9)20(28)18(12)19-15(26)6-11(23)7-16(19)27/h1-8,18,20-28H/t18-,20+,21-/m1/s1
InChIKey QFRLUBGNRQIORT-HLAWJBBLSA-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 398.369 g/mol
Solvent ACETONE-D6:D2O=95:5
Source File Reference UWPR191
SpectraBase Batch ID 6GCwuYKfaHa