John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=73QamAtHEkO SpectraBase Spectrum ID=3iU37aPiOGV

(accessed ).
(2R,3S,4S)-2,3-TRANS-3,4-CIS-4-(2,4-DIHYDROXYPHENYL)-3',4',5,7-TETRAHYDROXYFLAVAN-3-OL
SpectraBase Compound ID 73QamAtHEkO
InChI InChI=1S/C21H18O8/c22-10-2-3-12(14(25)6-10)18-19-16(27)7-11(23)8-17(19)29-21(20(18)28)9-1-4-13(24)15(26)5-9/h1-8,18,20-28H/t18-,20-,21+/m0/s1
InChIKey HHTOABNBQKDYJW-SESVDKBCSA-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 3iU37aPiOGV
Name (2R,3S,4S)-2,3-TRANS-3,4-CIS-4-(2,4-DIHYDROXYPHENYL)-3',4',5,7-TETRAHYDROXYFLAVAN-3-OL
Compound Number 8
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Formula C21H18O8
InChI InChI=1S/C21H18O8/c22-10-2-3-12(14(25)6-10)18-19-16(27)7-11(23)8-17(19)29-21(20(18)28)9-1-4-13(24)15(26)5-9/h1-8,18,20-28H/t18-,20-,21+/m0/s1
InChIKey HHTOABNBQKDYJW-SESVDKBCSA-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 UWPR194
SpectraBase Batch ID 6AsvOCWzt6Y