John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=DWYIBQqKOHE SpectraBase Spectrum ID=3LsLUVRlJal

(accessed ).
5-METHOXYXANTHOCERCIN-A;2,3-TRANS-3-(4-HYDROXY-3,5-DIMETHOXYPHENYL)-8-(3-HYDROXY-4-METHOXYPHENYL)-2-HYDROXYMETHYL-5-METHOXY-2,3-DIHYDRO-7H-1,4-DIOX
SpectraBase Compound ID DWYIBQqKOHE
InChI InChI=1S/C28H26O11/c1-33-18-6-5-13(7-17(18)30)16-12-37-26-15(23(16)31)10-21(36-4)27-28(26)38-22(11-29)25(39-27)14-8-19(34-2)24(32)20(9-14)35-3/h5-10,12,22,25,29-30,32H,11H2,1-4H3/t22-,25-/m1/s1
InChIKey PDFRGLKIUUWXHS-RCZVLFRGSA-N
Mol Weight 538.51 g/mol
Molecular Formula C28H26O11
Exact Mass 538.147512 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3LsLUVRlJal
Name 5-METHOXYXANTHOCERCIN-A;2,3-TRANS-3-(4-HYDROXY-3,5-DIMETHOXYPHENYL)-8-(3-HYDROXY-4-METHOXYPHENYL)-2-HYDROXYMETHYL-5-METHOXY-2,3-DIHYDRO-7H-1,4-DIOX
Compound Number 2
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H26O11
InChI InChI=1S/C28H26O11/c1-33-18-6-5-13(7-17(18)30)16-12-37-26-15(23(16)31)10-21(36-4)27-28(26)38-22(11-29)25(39-27)14-8-19(34-2)24(32)20(9-14)35-3/h5-10,12,22,25,29-30,32H,11H2,1-4H3/t22-,25-/m1/s1
InChIKey PDFRGLKIUUWXHS-RCZVLFRGSA-N
Literature Reference Author D.S.JANG,E.J.PARK,M.E.HAWTHORNE,J.S.VIGO,J.G.GRAHAM,F.CABIES ES,B.D.SANTARSIERO,A
Literature Reference Citation J.NAT.PROD.,66,583(2003)
Literature Reference DOI 10.1021/np020522n
Molecular Weight 538.508 g/mol
Solvent DMSO-D6
Source File Reference UWSI7669
SpectraBase Batch ID EOUud9Xp2xW