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KOBOPHENOL-A

View entire compound with spectra: 1 NMR

KOBOPHENOL-A
SpectraBase Compound ID AterCOpY09f
InChI InChI=1S/C56H44O13/c57-33-9-1-27(2-10-33)53-47(31-17-37(61)21-38(62)18-31)49-43(23-41(65)25-45(49)67-53)52-50-44(24-42(66)26-46(50)68-55(52)29-5-13-35(59)14-6-29)51-48(32-19-39(63)22-40(64)20-32)54(28-3-11-34(58)12-4-28)69-56(51)30-7-15-36(60)16-8-30/h1-26,47-48,51-66H/t47-,48+,51-,52+,53+,54-,55-,56+/m1/s1
InChIKey RAUCCLKIJHMTND-HFRYPGABSA-N
Mol Weight 925.0 g/mol
Molecular Formula C56H44O13
Exact Mass 924.278191 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6HuvErF6Ife
Name KOBOPHENOL-A
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C56H44O13
InChI InChI=1S/C56H44O13/c57-33-9-1-27(2-10-33)53-47(31-17-37(61)21-38(62)18-31)49-43(23-41(65)25-45(49)67-53)52-50-44(24-42(66)26-46(50)68-55(52)29-5-13-35(59)14-6-29)51-48(32-19-39(63)22-40(64)20-32)54(28-3-11-34(58)12-4-28)69-56(51)30-7-15-36(60)16-8-30/h1-26,47-48,51-66H/t47-,48+,51-,52+,53+,54-,55-,56+/m1/s1
InChIKey RAUCCLKIJHMTND-HFRYPGABSA-N
Literature Reference Author L.LI,G.E.HENRY,N.P.SEERAM
Literature Reference Citation J.AGR.FOOD.CHEM.,57,7282(2009)
Literature Reference DOI 10.1021/jf901716j
Molecular Weight 924.958 g/mol
Sample ID 68097
Solvent CD3OD