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SMILACHROMANONE;(3R)-3,5-DIHYDROXY-7-METHOXY-6-METHYL-3-(4-HYDROXYBENZYL)-CHROMAN-4-ONE
SpectraBase Compound ID 5GaiLU1zHOq
InChI InChI=1S/C18H18O6/c1-10-13(23-2)7-14-15(16(10)20)17(21)18(22,9-24-14)8-11-3-5-12(19)6-4-11/h3-7,19-20,22H,8-9H2,1-2H3/t18-/m1/s1
InChIKey HQTGCJVRBBDQDB-GOSISDBHSA-N
Mol Weight 330.34 g/mol
Molecular Formula C18H18O6
Exact Mass 330.110338 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Gm8INU3wC6K
Name SMILACHROMANONE;(3R)-3,5-DIHYDROXY-7-METHOXY-6-METHYL-3-(4-HYDROXYBENZYL)-CHROMAN-4-ONE
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H18O6
InChI InChI=1S/C18H18O6/c1-10-13(23-2)7-14-15(16(10)20)17(21)18(22,9-24-14)8-11-3-5-12(19)6-4-11/h3-7,19-20,22H,8-9H2,1-2H3/t18-/m1/s1
InChIKey HQTGCJVRBBDQDB-GOSISDBHSA-N
Literature Reference Author S.XU,M.Y.SHANG,G.X.LIU,F.XU,X.WANG,C.C.SHOU,S.Q.CAI
Literature Reference Citation MOLECULES,18,5265(2013)
Literature Reference DOI 10.3390/molecules18055265
Molecular Weight 330.337 g/mol
Solvent CD3OD
Source File Reference UWBT9212