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BIS-ACETOXYMETHYL-(2,3,4,6-TETRA-O-BUTYRYL-ALPHA-D-MANNOPYRANOSYL)-PHOSPHATE
SpectraBase Compound ID 5nBKonF4MMd
InChI InChI=1S/C28H45O17P/c1-7-11-21(31)36-15-20-25(42-22(32)12-8-2)26(43-23(33)13-9-3)27(44-24(34)14-10-4)28(41-20)45-46(35,39-16-37-18(5)29)40-17-38-19(6)30/h20,25-28H,7-17H2,1-6H3/t20-,25-,26+,27+,28-/m1/s1
InChIKey HVFLQNNRIZPODK-JUZWBCOFSA-N
Mol Weight 684.6 g/mol
Molecular Formula C28H45O17P
Exact Mass 684.239437 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ErYzk6oZln5
Name BIS-ACETOXYMETHYL-(2,3,4,6-TETRA-O-BUTYRYL-ALPHA-D-MANNOPYRANOSYL)-PHOSPHATE
Compound Number 10
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H45O17P
InChI InChI=1S/C28H45O17P/c1-7-11-21(31)36-15-20-25(42-22(32)12-8-2)26(43-23(33)13-9-3)27(44-24(34)14-10-4)28(41-20)45-46(35,39-16-37-18(5)29)40-17-38-19(6)30/h20,25-28H,7-17H2,1-6H3/t20-,25-,26+,27+,28-/m1/s1
InChIKey HVFLQNNRIZPODK-JUZWBCOFSA-N
Literature Reference Author S.RUTSCHOW,J.THIEM,C.KRANZ,T.MARQUARDT
Literature Reference Citation BIOORG.MED.CHEM.,10,4043(2002)
Literature Reference DOI 10.1016/S0968-0896(02)00269-9
Molecular Weight 684.629 g/mol
Solvent CDCl3
Source File Reference UWSI24593