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N-BUTYL-(R)-3-[2-(3,4-DIHYDROXYBENZOYL)-4,5-DIHYDROXYPHENYL]-2-HYDROXY-PROPANOATE
SpectraBase Compound ID BpwEIvPI2cg
InChI InChI=1S/C20H22O8/c1-2-3-6-28-20(27)18(25)9-12-8-16(23)17(24)10-13(12)19(26)11-4-5-14(21)15(22)7-11/h4-5,7-8,10,18,21-25H,2-3,6,9H2,1H3/t18-/m1/s1
InChIKey JBJCRACPVZGOEF-GOSISDBHSA-N
Mol Weight 390.39 g/mol
Molecular Formula C20H22O8
Exact Mass 390.131468 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AJkEPbjNdD7
Name N-BUTYL-(R)-3-[2-(3,4-DIHYDROXYBENZOYL)-4,5-DIHYDROXYPHENYL]-2-HYDROXY-PROPANOATE
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H22O8
InChI InChI=1S/C20H22O8/c1-2-3-6-28-20(27)18(25)9-12-8-16(23)17(24)10-13(12)19(26)11-4-5-14(21)15(22)7-11/h4-5,7-8,10,18,21-25H,2-3,6,9H2,1H3/t18-/m1/s1
InChIKey JBJCRACPVZGOEF-GOSISDBHSA-N
Literature Reference Author K.Z.DENG,Y.XIONG,B.ZHOU,Y.M.GUAN,Y.M.LUO
Literature Reference Citation MOLECULES,18,11859(2013)
Literature Reference DOI 10.3390/molecules181011859
Molecular Weight 390.390 g/mol
Solvent CD3OD
Source File Reference UWIR9539