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AQUILARONE-F;(5S,6R,7R,8S)-2-[2-(4'-HYDROXYPHENYL)-ETHYL]-5,6,7,8-TETRAHYDROXY-5,6,7,8-TETRAHYDRO-CHROMONE
SpectraBase Compound ID 7ZcPBbDP4Uu
InChI InChI=1S/C17H18O7/c18-9-4-1-8(2-5-9)3-6-10-7-11(19)12-13(20)14(21)15(22)16(23)17(12)24-10/h1-2,4-5,7,13-16,18,20-23H,3,6H2/t13-,14+,15+,16-/m0/s1
InChIKey PBFJQDNZTRCGTF-JJXSEGSLSA-N
Mol Weight 334.32 g/mol
Molecular Formula C17H18O7
Exact Mass 334.105253 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ErYq3yuQUG5
Name AQUILARONE-F;(5S,6R,7R,8S)-2-[2-(4'-HYDROXYPHENYL)-ETHYL]-5,6,7,8-TETRAHYDROXY-5,6,7,8-TETRAHYDRO-CHROMONE
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H18O7
InChI InChI=1S/C17H18O7/c18-9-4-1-8(2-5-9)3-6-10-7-11(19)12-13(20)14(21)15(22)16(23)17(12)24-10/h1-2,4-5,7,13-16,18,20-23H,3,6H2/t13-,14+,15+,16-/m0/s1
InChIKey PBFJQDNZTRCGTF-JJXSEGSLSA-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 334.326 g/mol
Solvent DMSO-D6
Source File Reference UWLU84347