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3,3'-DI-N-OCTYL-4,4'-DIHEXANOYLELLAGIC-ACID
SpectraBase Compound ID 60NVPR5Qh4b
InChI InChI=1S/C42H58O10/c1-5-9-13-15-17-21-25-47-37-31(49-33(43)23-19-11-7-3)27-29-35-36-30(41(45)51-39(35)37)28-32(50-34(44)24-20-12-8-4)38(40(36)52-42(29)46)48-26-22-18-16-14-10-6-2/h27-28H,5-26H2,1-4H3
InChIKey WIMNSJGYRWZNHP-UHFFFAOYSA-N
Mol Weight 722.9 g/mol
Molecular Formula C42H58O10
Exact Mass 722.402998 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ka975pvP2Fd
Name 3,3'-DI-N-OCTYL-4,4'-DIHEXANOYLELLAGIC-ACID
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C42H58O10
InChI InChI=1S/C42H58O10/c1-5-9-13-15-17-21-25-47-37-31(49-33(43)23-19-11-7-3)27-29-35-36-30(41(45)51-39(35)37)28-32(50-34(44)24-20-12-8-4)38(40(36)52-42(29)46)48-26-22-18-16-14-10-6-2/h27-28H,5-26H2,1-4H3
InChIKey WIMNSJGYRWZNHP-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 722.917 g/mol
Solvent CDCl3_OR_DMSO-D6
Source File Reference UWCS4225