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(-)-2-GALLOYL-4-(E)-CAFFEOYL-L-THREONIC-ACID

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(-)-2-GALLOYL-4-(E)-CAFFEOYL-L-THREONIC-ACID
SpectraBase Compound ID 3pXhSrBYXAF
InChI InChI=1S/C20H18O12/c21-11-3-1-9(5-12(11)22)2-4-16(26)31-8-15(25)18(19(28)29)32-20(30)10-6-13(23)17(27)14(24)7-10/h1-7,15,18,21-25,27H,8H2,(H,28,29)/b4-2+/t15-,18+/m0/s1
InChIKey WAEWPXUWOQLKBB-TVLGLLHQSA-N
Mol Weight 450.35 g/mol
Molecular Formula C20H18O12
Exact Mass 450.079826 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2CbWtE1cMSO
Name (-)-2-GALLOYL-4-(E)-CAFFEOYL-L-THREONIC-ACID
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H18O12
InChI InChI=1S/C20H18O12/c21-11-3-1-9(5-12(11)22)2-4-16(26)31-8-15(25)18(19(28)29)32-20(30)10-6-13(23)17(27)14(24)7-10/h1-7,15,18,21-25,27H,8H2,(H,28,29)/b4-2+/t15-,18+/m0/s1
InChIKey WAEWPXUWOQLKBB-TVLGLLHQSA-N
Literature Reference Author D.LEE,S.J.KANG,S.H.LEE,J.RO,K.LEE,A.D.KINGHORN
Literature Reference Citation PHYTOCHEM.,53,405(2000)
Literature Reference DOI 10.1016/S0031-9422(99)00502-6
Molecular Weight 450.356 g/mol
Solvent DMSO-D6
Source File Reference UWLU2004