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AQUILARONE-C;(5S,6S,7S,8R)-2-[2-(4'-METHOXYPHENYL)-ETHYL]-5,6,7,8-TETRAHYDROXY-5,6,7,8-TETRAHYDRO-CHROMONE
SpectraBase Compound ID guLOun1ChE
InChI InChI=1S/C18H20O7/c1-24-10-5-2-9(3-6-10)4-7-11-8-12(19)13-14(20)15(21)16(22)17(23)18(13)25-11/h2-3,5-6,8,14-17,20-23H,4,7H2,1H3/t14-,15-,16-,17+/m0/s1
InChIKey NRDKOXSXHXTKHR-LUKYLMHMSA-N
Mol Weight 348.35 g/mol
Molecular Formula C18H20O7
Exact Mass 348.120903 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LhoNFAgPLnE
Name AQUILARONE-C;(5S,6S,7S,8R)-2-[2-(4'-METHOXYPHENYL)-ETHYL]-5,6,7,8-TETRAHYDROXY-5,6,7,8-TETRAHYDRO-CHROMONE
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H20O7
InChI InChI=1S/C18H20O7/c1-24-10-5-2-9(3-6-10)4-7-11-8-12(19)13-14(20)15(21)16(22)17(23)18(13)25-11/h2-3,5-6,8,14-17,20-23H,4,7H2,1H3/t14-,15-,16-,17+/m0/s1
InChIKey NRDKOXSXHXTKHR-LUKYLMHMSA-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 348.353 g/mol
Solvent DMSO-D6
Source File Reference UWLU84343