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8,16-Bis(7-et-2-oh-8-mesyloxy-1,3-dime-4-oxo-non-5-enyl)-7,15-dime-1,9-dioxa-cyclohexadeca-3,5,11,13-tetraene-2,10-dione

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8,16-Bis(7-et-2-oh-8-mesyloxy-1,3-dime-4-oxo-non-5-enyl)-7,15-dime-1,9-dioxa-cyclohexadeca-3,5,11,13-tetraene-2,10-dione
SpectraBase Compound ID ICZFlmgRvEf
InChI InChI=1S/C44H68O14S2/c1-13-35(33(9)57-59(11,51)52)23-25-37(45)29(5)41(49)31(7)43-27(3)19-15-17-22-40(48)56-44(28(4)20-16-18-21-39(47)55-43)32(8)42(50)30(6)38(46)26-24-36(14-2)34(10)58-60(12,53)54/h15-36,41-44,49-50H,13-14H2,1-12H3/b19-15+,20-16+,21-18+,22-17+,25-23-,26-24+
InChIKey VKSTVFXCYWOZKE-HSQBBZPXSA-N
Mol Weight 885.1 g/mol
Molecular Formula C44H68O14S2
Exact Mass 884.405049 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5X6ER7bsvZw
Name 8,16-Bis(7-et-2-oh-8-mesyloxy-1,3-dime-4-oxo-non-5-enyl)-7,15-dime-1,9-dioxa-cyclohexadeca-3,5,11,13-tetraene-2,10-dione
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C44H68O14S2
InChI InChI=1S/C44H68O14S2/c1-13-35(33(9)57-59(11,51)52)23-25-37(45)29(5)41(49)31(7)43-27(3)19-15-17-22-40(48)56-44(28(4)20-16-18-21-39(47)55-43)32(8)42(50)30(6)38(46)26-24-36(14-2)34(10)58-60(12,53)54/h15-36,41-44,49-50H,13-14H2,1-12H3/b19-15+,20-16+,21-18+,22-17+,25-23-,26-24+
InChIKey VKSTVFXCYWOZKE-HSQBBZPXSA-N
Instrument Name Bruker AM-300
Literature Reference P. Hamman, G. Kretzschmar, Magn. Res. Chem. 29, 667 (1991).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent Pyridine-D5