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3,3',4,4'-TETRAHEXANOYLELLAGIC-ACID

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3,3',4,4'-TETRAHEXANOYLELLAGIC-ACID
SpectraBase Compound ID 8stcPp1Q2bs
InChI InChI=1S/C38H46O12/c1-5-9-13-17-27(39)45-25-21-23-31-32-24(38(44)49-35(31)33(25)47-29(41)19-15-11-7-3)22-26(46-28(40)18-14-10-6-2)34(36(32)50-37(23)43)48-30(42)20-16-12-8-4/h21-22H,5-20H2,1-4H3
InChIKey HAFMPHFIFHQQGV-UHFFFAOYSA-N
Mol Weight 694.8 g/mol
Molecular Formula C38H46O12
Exact Mass 694.298927 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 64vR4oItDmM
Name 3,3',4,4'-TETRAHEXANOYLELLAGIC-ACID
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C38H46O12
InChI InChI=1S/C38H46O12/c1-5-9-13-17-27(39)45-25-21-23-31-32-24(38(44)49-35(31)33(25)47-29(41)19-15-11-7-3)22-26(46-28(40)18-14-10-6-2)34(36(32)50-37(23)43)48-30(42)20-16-12-8-4/h21-22H,5-20H2,1-4H3
InChIKey HAFMPHFIFHQQGV-UHFFFAOYSA-N
Literature Reference Author Y.H.HEUR,W.ZENG,G.D.STONER,G.A.NEMETH,B.HILTON
Literature Reference Citation J.NAT.PROD.,55,1402(1992)
Literature Reference DOI 10.1021/np50088a003
Molecular Weight 694.776 g/mol
Solvent CDCl3_OR_DMSO-D6
Source File Reference UWCS4221