John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=FBP0rFlJfeQ SpectraBase Spectrum ID=9fwWamU6KKE

(accessed ).
(2S,3S,4R)-2,3-CIS-3,4-TRANS-4-(2,4-DIHYDROXYPHENYL)-3',4',7-TRIHYDROXYFLAVAN-3-OL
SpectraBase Compound ID FBP0rFlJfeQ
InChI InChI=1S/C21H18O7/c22-11-2-4-13(16(25)8-11)19-14-5-3-12(23)9-18(14)28-21(20(19)27)10-1-6-15(24)17(26)7-10/h1-9,19-27H/t19-,20+,21+/m1/s1
InChIKey KIVIQLZOPPBBNC-HKBOAZHASA-N
Mol Weight 382.37 g/mol
Molecular Formula C21H18O7
Exact Mass 382.105253 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9fwWamU6KKE
Name (2S,3S,4R)-2,3-CIS-3,4-TRANS-4-(2,4-DIHYDROXYPHENYL)-3',4',7-TRIHYDROXYFLAVAN-3-OL
Compound Number 10
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Formula C21H18O7
InChI InChI=1S/C21H18O7/c22-11-2-4-13(16(25)8-11)19-14-5-3-12(23)9-18(14)28-21(20(19)27)10-1-6-15(24)17(26)7-10/h1-9,19-27H/t19-,20+,21+/m1/s1
InChIKey KIVIQLZOPPBBNC-HKBOAZHASA-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 382.370 g/mol
Solvent ACETONE-D6:D2O=95:5
Source File Reference UWPR196
SpectraBase Batch ID 60EsLUveUkU