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PIERREIONE_B;3'-METHOXY-4'-(2-R,3-DIHYDROXY-3-METHYLBUTOXYL)-3'',3''-DIMETHYLPYRANO-(6,7)-ISOFLAVONE
SpectraBase Compound ID 1ncAxhEcRf2
InChI InChI=1S/C26H28O7/c1-25(2)9-8-16-10-17-21(12-20(16)33-25)31-13-18(24(17)28)15-6-7-19(22(11-15)30-5)32-14-23(27)26(3,4)29/h6-13,23,27,29H,14H2,1-5H3/t23-/m1/s1
InChIKey RDXLWAJRBPKMPD-HSZRJFAPSA-N
Mol Weight 452.5 g/mol
Molecular Formula C26H28O7
Exact Mass 452.183503 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DFSHs566GuX
Name PIERREIONE_B;3'-METHOXY-4'-(2-R,3-DIHYDROXY-3-METHYLBUTOXYL)-3'',3''-DIMETHYLPYRANO-(6,7)-ISOFLAVONE
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H28O7
InChI InChI=1S/C26H28O7/c1-25(2)9-8-16-10-17-21(12-20(16)33-25)31-13-18(24(17)28)15-6-7-19(22(11-15)30-5)32-14-23(27)26(3,4)29/h6-13,23,27,29H,14H2,1-5H3/t23-/m1/s1
InChIKey RDXLWAJRBPKMPD-HSZRJFAPSA-N
Literature Reference Author S.GAO,Y.XU,F.A.VALERIOTE,A.A.L.GUNATILAKA
Literature Reference Citation J.NAT.PROD.,74,852(2011)
Literature Reference DOI 10.1021/np100763p
Molecular Weight 452.504 g/mol
Sample ID 38014
Solvent CDCl3