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benzoic acid [(2R,3R,4S,5R,6R)-3,5-bis(benzoyloxy)-2-(benzoyloxymethyl)-6-(2,2,2-trichloroacetimidoyl)oxy-tetrahydropyran-4-yl] ester

View entire compound with spectra: 1 NMR

benzoic acid [(2R,3R,4S,5R,6R)-3,5-bis(benzoyloxy)-2-(benzoyloxymethyl)-6-(2,2,2-trichloroacetimidoyl)oxy-tetrahydropyran-4-yl] ester
SpectraBase Compound ID 1Fv3Qz1J49N
InChI InChI=1S/C36H28Cl3NO10/c37-36(38,39)35(40)50-34-29(49-33(44)25-19-11-4-12-20-25)28(48-32(43)24-17-9-3-10-18-24)27(47-31(42)23-15-7-2-8-16-23)26(46-34)21-45-30(41)22-13-5-1-6-14-22/h1-20,26-29,34,40H,21H2/t26-,27-,28+,29-,34-/m1/s1
InChIKey KTHFOWIANASXOK-UCDCFHRCSA-N
Mol Weight 741.0 g/mol
Molecular Formula C36H28Cl3NO10
Exact Mass 739.077879 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Feev3vqPMcC
Name benzoic acid [(2R,3R,4S,5R,6R)-3,5-bis(benzoyloxy)-2-(benzoyloxymethyl)-6-(2,2,2-trichloroacetimidoyl)oxy-tetrahydropyran-4-yl] ester
Compound Number 42
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C36H28Cl3NO10
InChI InChI=1S/C36H28Cl3NO10/c37-36(38,39)35(40)50-34-29(49-33(44)25-19-11-4-12-20-25)28(48-32(43)24-17-9-3-10-18-24)27(47-31(42)23-15-7-2-8-16-23)26(46-34)21-45-30(41)22-13-5-1-6-14-22/h1-20,26-29,34,40H,21H2/t26-,27-,28+,29-,34-/m1/s1
InChIKey KTHFOWIANASXOK-UCDCFHRCSA-N
Literature Reference Author I.A.IVANOVA,A.J.ROSS,M.A.J.FERGUSON,A.V.NIKOLAEV
Literature Reference Citation J.CHEM.SOC.PERKIN-1,1743(1999)
Literature Reference DOI 10.1039/a900375d
Molecular Weight 740.978 g/mol
Solvent CDCl3
Source File Reference UWGE973