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(-)-2,3-DIGALLOYL-4-(E)-CAFFEOYL-L-THREONIC-ACID
SpectraBase Compound ID 2HzL2OoqQXF
InChI InChI=1S/C27H22O16/c28-14-3-1-11(5-15(14)29)2-4-21(34)41-10-20(42-26(39)12-6-16(30)22(35)17(31)7-12)24(25(37)38)43-27(40)13-8-18(32)23(36)19(33)9-13/h1-9,20,24,28-33,35-36H,10H2,(H,37,38)/b4-2+/t20-,24-/m1/s1
InChIKey FXCGNOJKVRUBNN-UACLUVOPSA-N
Mol Weight 602.46 g/mol
Molecular Formula C27H22O16
Exact Mass 602.090785 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ju4aCE8nV95
Name (-)-2,3-DIGALLOYL-4-(E)-CAFFEOYL-L-THREONIC-ACID
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H22O16
InChI InChI=1S/C27H22O16/c28-14-3-1-11(5-15(14)29)2-4-21(34)41-10-20(42-26(39)12-6-16(30)22(35)17(31)7-12)24(25(37)38)43-27(40)13-8-18(32)23(36)19(33)9-13/h1-9,20,24,28-33,35-36H,10H2,(H,37,38)/b4-2+/t20-,24-/m1/s1
InChIKey FXCGNOJKVRUBNN-UACLUVOPSA-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 602.462 g/mol
Solvent DMSO-D6
Source File Reference UWLU2003