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METHYL-6-O-ALLYL-2,3-DI-O-BENZYL-4-DEOXY-4-(2-IODOBENZAMIDE)-ALPHA-D-GALACTOPYRANOSIDE
SpectraBase Compound ID DBbQ35KOFuG
InChI InChI=1S/C31H34INO6/c1-3-18-36-21-26-27(33-30(34)24-16-10-11-17-25(24)32)28(37-19-22-12-6-4-7-13-22)29(31(35-2)39-26)38-20-23-14-8-5-9-15-23/h3-17,26-29,31H,1,18-21H2,2H3,(H,33,34)/t26-,27+,28+,29-,31+/m0/s1
InChIKey CYLJHCAUDZMHCY-QHPYGSKZSA-N
Mol Weight 643.5 g/mol
Molecular Formula C31H34INO6
Exact Mass 643.143083 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3mOTvIoGgVt
Name METHYL-6-O-ALLYL-2,3-DI-O-BENZYL-4-DEOXY-4-(2-IODOBENZAMIDE)-ALPHA-D-GALACTOPYRANOSIDE
Compound Number 13
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H34INO6
InChI InChI=1S/C31H34INO6/c1-3-18-36-21-26-27(33-30(34)24-16-10-11-17-25(24)32)28(37-19-22-12-6-4-7-13-22)29(31(35-2)39-26)38-20-23-14-8-5-9-15-23/h3-17,26-29,31H,1,18-21H2,2H3,(H,33,34)/t26-,27+,28+,29-,31+/m0/s1
InChIKey CYLJHCAUDZMHCY-QHPYGSKZSA-N
Literature Reference Author D.H.S.LEAL,C.G.QUEIROGA,M.C.PIRES,M.A.F.PRADO,R.J.ALVES,A.CE SAR
Literature Reference Citation QUIM.NOVA,32,2387(2009)
Molecular Weight 643.519 g/mol
Solvent CDCl3
Source File Reference UWBT12027