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AQUILARONE-E;(5S,6R,7R,8S)-2-[2-(3'-HYDROXY-4'-METHOXYPHENYL)-ETHYL]-5,6,7,8-TETRAHYDROXY-5,6,7,8-TETRAHYDRO-CHROMONE
SpectraBase Compound ID 4llcwgbhOqZ
InChI InChI=1S/C18H20O8/c1-25-12-5-3-8(6-10(12)19)2-4-9-7-11(20)13-14(21)15(22)16(23)17(24)18(13)26-9/h3,5-7,14-17,19,21-24H,2,4H2,1H3/t14-,15+,16+,17-/m0/s1
InChIKey CIQXSNSYUDPULO-HZMVEIRTSA-N
Mol Weight 364.35 g/mol
Molecular Formula C18H20O8
Exact Mass 364.115818 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8WaamGhYgXx
Name AQUILARONE-E;(5S,6R,7R,8S)-2-[2-(3'-HYDROXY-4'-METHOXYPHENYL)-ETHYL]-5,6,7,8-TETRAHYDROXY-5,6,7,8-TETRAHYDRO-CHROMONE
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H20O8
InChI InChI=1S/C18H20O8/c1-25-12-5-3-8(6-10(12)19)2-4-9-7-11(20)13-14(21)15(22)16(23)17(24)18(13)26-9/h3,5-7,14-17,19,21-24H,2,4H2,1H3/t14-,15+,16+,17-/m0/s1
InChIKey CIQXSNSYUDPULO-HZMVEIRTSA-N
Literature Reference Author D.CHEN,Z.XU,X.CHAI,K.ZENG,Y.JIA,D.BI,Z.MA,P.TU
Literature Reference Citation EUR.J.ORG.CHEM.,2012,5389(2012)
Literature Reference DOI 10.1002/ejoc.201200725
Molecular Weight 364.352 g/mol
Solvent DMSO-D6
Source File Reference UWLU84345