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(2R)-5,7,8,4'-TETRAHYDROXY-FLAVANONE-8-O-BETA-D-GLUCOPYRANOSIDE;3-DESOXYCALLUNIN
SpectraBase Compound ID J71agE2M1ul
InChI InChI=1S/C21H22O11/c22-7-14-16(27)17(28)18(29)21(31-14)32-19-12(26)5-10(24)15-11(25)6-13(30-20(15)19)8-1-3-9(23)4-2-8/h1-5,13-14,16-18,21-24,26-29H,6-7H2/t13-,14-,16-,17+,18-,21+/m0/s1
InChIKey KUBUHOMBTJDYAN-GWKGIHEGSA-N
Mol Weight 450.4 g/mol
Molecular Formula C21H22O11
Exact Mass 450.116212 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5w7aSmAkQhf
Name (2R)-5,7,8,4'-TETRAHYDROXY-FLAVANONE-8-O-BETA-D-GLUCOPYRANOSIDE;3-DESOXYCALLUNIN
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H22O11
InChI InChI=1S/C21H22O11/c22-7-14-16(27)17(28)18(29)21(31-14)32-19-12(26)5-10(24)15-11(25)6-13(30-20(15)19)8-1-3-9(23)4-2-8/h1-5,13-14,16-18,21-24,26-29H,6-7H2/t13-,14-,16-,17+,18-,21+/m0/s1
InChIKey KUBUHOMBTJDYAN-GWKGIHEGSA-N
Literature Reference Author D.P.ALLAIS,A.J.CHULIA,M.KAOUADJI,A.SIMON,C.DELAGE
Literature Reference Citation PHYTOCHEM.,39,427(1995)
Literature Reference DOI 10.1016/0031-9422(94)00910-L
Molecular Weight 450.399 g/mol
Solvent CD3OD
Source File Reference UWMZ8457