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Koelreuterin-1
SpectraBase Compound ID CQbxSiHI8en
InChI InChI=1S/C21H14O7/c1-23-16-4-11(5-17-20(16)28-9-27-17)18-13-6-15-14(25-8-26-15)3-10(13)2-12-7-24-21(22)19(12)18/h2-6H,7-9H2,1H3
InChIKey HTPDVTGSLPGCBF-UHFFFAOYSA-N
Mol Weight 378.34 g/mol
Molecular Formula C21H14O7
Exact Mass 378.073953 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CXxZfnPQAb0
Name KOELREUTERIN-1
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H14O7
InChI InChI=1S/C21H14O7/c1-23-16-4-11(5-17-20(16)28-9-27-17)18-13-6-15-14(25-8-26-15)3-10(13)2-12-7-24-21(22)19(12)18/h2-6H,7-9H2,1H3
InChIKey HTPDVTGSLPGCBF-UHFFFAOYSA-N
Literature Reference Author Y.N.SONG,H.L.ZHANG,C.J.CHANG,D.M.BOLLAG
Literature Reference Citation J.NAT.PROD.,57,1670(1994)
Literature Reference DOI 10.1021/np50114a008
Molecular Weight 378.338 g/mol
Solvent CDCl3
Source File Reference UWRK263