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PIECEID-2''-O-GALLATE

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PIECEID-2''-O-GALLATE
SpectraBase Compound ID 6P2bbnKeK4Q
InChI InChI=1S/C27H26O12/c28-12-21-23(34)24(35)25(39-26(36)15-9-19(31)22(33)20(32)10-15)27(38-21)37-18-8-14(7-17(30)11-18)2-1-13-3-5-16(29)6-4-13/h1-11,21,23-25,27-35H,12H2/b2-1+/t21-,23-,24+,25-,27-/m1/s1
InChIKey FRCZCWMUKGVPEF-XMPPFBFMSA-N
Mol Weight 542.49 g/mol
Molecular Formula C27H26O12
Exact Mass 542.142426 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FqzTFqsgK3D
Name PIECEID-2''-O-GALLATE
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H26O12
InChI InChI=1S/C27H26O12/c28-12-21-23(34)24(35)25(39-26(36)15-9-19(31)22(33)20(32)10-15)27(38-21)37-18-8-14(7-17(30)11-18)2-1-13-3-5-16(29)6-4-13/h1-11,21,23-25,27-35H,12H2/b2-1+/t21-,23-,24+,25-,27-/m1/s1
InChIKey FRCZCWMUKGVPEF-XMPPFBFMSA-N
Literature Reference Author J.P.LEE,B.S.MIN,R.B.AN,M.K.NA,S.M.LEE,H.K.LEE,J.G.KIM,K.H.BA E,S.S.KANG
Literature Reference Citation PHYTOCHEM.,64,759(2003)
Literature Reference DOI 10.1016/S0031-9422(03)00417-5
Molecular Weight 542.496 g/mol
Solvent CD3OD
Source File Reference UWKP900