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(CO(2)ME)-G2-SH

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(CO(2)ME)-G2-SH
SpectraBase Compound ID L8UiAb19QEN
InChI InChI=1S/C57H52O14S/c1-62-54(58)44-13-5-37(6-14-44)30-66-48-21-41(22-49(27-48)67-31-38-7-15-45(16-8-38)55(59)63-2)34-70-52-25-43(36-72)26-53(29-52)71-35-42-23-50(68-32-39-9-17-46(18-10-39)56(60)64-3)28-51(24-42)69-33-40-11-19-47(20-12-40)57(61)65-4/h5-29,72H,30-36H2,1-4H3
InChIKey XZFDTELPKBQQBB-UHFFFAOYSA-N
Mol Weight 993.1 g/mol
Molecular Formula C57H52O14S
Exact Mass 992.307778 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LISjrijQLDg
Name (CO(2)ME)-G2-SH
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C57H52O14S
InChI InChI=1S/C57H52O14S/c1-62-54(58)44-13-5-37(6-14-44)30-66-48-21-41(22-49(27-48)67-31-38-7-15-45(16-8-38)55(59)63-2)34-70-52-25-43(36-72)26-53(29-52)71-35-42-23-50(68-32-39-9-17-46(18-10-39)56(60)64-3)28-51(24-42)69-33-40-11-19-47(20-12-40)57(61)65-4/h5-29,72H,30-36H2,1-4H3
InChIKey XZFDTELPKBQQBB-UHFFFAOYSA-N
Literature Reference Author K.R.GOPIDAS,J.K.WHITESSEL,M.A.FOX
Literature Reference Citation J.AM.CHEM.SOC.,125,14168(2003)
Literature Reference DOI 10.1021/ja036626h
Molecular Weight 993.091 g/mol
Sample ID 35442
Solvent CDCl3