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1,3,4,5-TETRAGALLOYLAPIITOL

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1,3,4,5-TETRAGALLOYLAPIITOL
SpectraBase Compound ID 9RVymJTJsWT
InChI InChI=1S/C33H28O21/c34-16-1-12(2-17(35)25(16)42)29(46)51-9-24(54-32(49)15-7-22(40)28(45)23(41)8-15)33(50,10-52-30(47)13-3-18(36)26(43)19(37)4-13)11-53-31(48)14-5-20(38)27(44)21(39)6-14/h1-8,24,34-45,50H,9-11H2/t24-/m0/s1
InChIKey JJNUIPLIYVPQDJ-DEOSSOPVSA-N
Mol Weight 760.6 g/mol
Molecular Formula C33H28O21
Exact Mass 760.112308 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EoUznzifeHe
Name 1,3,4,5-TETRAGALLOYLAPIITOL
Compound Number 1
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C33H28O21
InChI InChI=1S/C33H28O21/c34-16-1-12(2-17(35)25(16)42)29(46)51-9-24(54-32(49)15-7-22(40)28(45)23(41)8-15)33(50,10-52-30(47)13-3-18(36)26(43)19(37)4-13)11-53-31(48)14-5-20(38)27(44)21(39)6-14/h1-8,24,34-45,50H,9-11H2/t24-/m0/s1
InChIKey JJNUIPLIYVPQDJ-DEOSSOPVSA-N
Literature Reference Author K.TAKADA,A.BERMINGHAM,B.R.OKEEFE,A.WAMIRU,J.A.BEUTLER,S.F.J. LEGRICE,J.LLOYD,K.R.
Literature Reference Citation J.NAT.PROD.,70,1647(2007)
Literature Reference DOI 10.1021/np0702279
Molecular Weight 760.573 g/mol
Sample ID 31712
Solvent C5D5N