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3-O-(METHYL-3-O-BENZYL-2,4-DI-O-PIVALOYL-ALPHA-L-IDOPYRANOSYLURONATE)-2-DEOXY-4,6-DI-O-LEVULINOYL-2-TRIFLUOROACETAMIDO-ALPHA-D-GALACTOPYRANOSIDE
SpectraBase Compound ID 5IWlrd158k5
InChI InChI=1S/C42H56F3NO18/c1-21(47)15-17-25(49)57-20-24-28(60-26(50)18-16-22(2)48)29(27(34(51)59-24)46-37(53)42(43,44)45)61-36-33(64-39(55)41(6,7)8)30(58-19-23-13-11-10-12-14-23)31(32(62-36)35(52)56-9)63-38(54)40(3,4)5/h10-14,24,27-34,36,51H,15-20H2,1-9H3,(H,46,53)/t24-,27-,28+,29-,30-,31-,32+,33+,34+,36+/m1/s1
InChIKey SCEJGPOQQIWSMT-SLIKSPGMSA-N
Mol Weight 919.9 g/mol
Molecular Formula C42H56F3NO18
Exact Mass 919.344948 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7hGUSLZlJG9
Name 3-O-(METHYL-3-O-BENZYL-2,4-DI-O-PIVALOYL-ALPHA-L-IDOPYRANOSYLURONATE)-2-DEOXY-4,6-DI-O-LEVULINOYL-2-TRIFLUOROACETAMIDO-ALPHA-D-GALACTOPYRANOSIDE
Compound Number 42
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C42H56F3NO18
InChI InChI=1S/C42H56F3NO18/c1-21(47)15-17-25(49)57-20-24-28(60-26(50)18-16-22(2)48)29(27(34(51)59-24)46-37(53)42(43,44)45)61-36-33(64-39(55)41(6,7)8)30(58-19-23-13-11-10-12-14-23)31(32(62-36)35(52)56-9)63-38(54)40(3,4)5/h10-14,24,27-34,36,51H,15-20H2,1-9H3,(H,46,53)/t24-,27-,28+,29-,30-,31-,32+,33+,34+,36+/m1/s1
InChIKey SCEJGPOQQIWSMT-SLIKSPGMSA-N
Literature Reference Author G.MACCHIONE,S.MAZA,M.M.KAYSER,J.L.DEPAZ,P.M.NIETO
Literature Reference Citation EUR.J.ORG.CHEM.,2014,3868(2014)
Literature Reference DOI 10.1002/ejoc.201402222
Molecular Weight 919.898 g/mol
Solvent CDCl3
Source File Reference UWLU85341