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3-O-Demethyl-Digicitrin
SpectraBase Compound ID GIYYh0Qpcok
InChI InChI=1S/C20H20O10/c1-25-10-7-8(6-9(21)16(10)26-2)15-14(24)12(22)11-13(23)18(27-3)20(29-5)19(28-4)17(11)30-15/h6-7,21,23-24H,1-5H3
InChIKey SBECGZQEVBSJHM-UHFFFAOYSA-N
Mol Weight 420.37 g/mol
Molecular Formula C20H20O10
Exact Mass 420.105647 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CQPpc1rxAdc
Name 3-O-DEMETHYLDIGICITRIN
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H20O10
InChI InChI=1S/C20H20O10/c1-25-10-7-8(6-9(21)16(10)26-2)15-14(24)12(22)11-13(23)18(27-3)20(29-5)19(28-4)17(11)30-15/h6-7,21,23-24H,1-5H3
InChIKey SBECGZQEVBSJHM-UHFFFAOYSA-N
Literature Reference Author J.J.LICHIUS,O.THOISON,A.MONTAGNAC,M.PAIS,F.GUERITTE-VOEGELEI N,T.SEVENET,J.P.COSS
Literature Reference Citation J.NAT.PROD.,57,1012(1994)
Literature Reference DOI 10.1021/np50109a024
Molecular Weight 420.373 g/mol
Solvent CDCl3
Source File Reference UWTS1473