John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=L5IdO0HXeBr SpectraBase Spectrum ID=2Aho7PMqvSC

(accessed ).
[1,2,3,4,5,6-(13)-C-(6)]-GLUCOSEPENTA-O-ACETATE
SpectraBase Compound ID L5IdO0HXeBr
InChI InChI=1S/2C16H22O11/c2*1-7(17)22-6-12-13(23-8(2)18)14(24-9(3)19)15(25-10(4)20)16(27-12)26-11(5)21/h2*12-16H,6H2,1-5H3/t12-,13-,14+,15-,16+;12-,13-,14+,15-,16-/m00/s1/i2*6+1,12+1,13+1,14+1,15+1,16+1
InChIKey HFMSSULJHCLTKD-ZFOVOJCRSA-N
Mol Weight 792.59 g/mol
Molecular Formula C2013C12H44O22
Exact Mass 792.272682 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2Aho7PMqvSC
Name [1,2,3,4,5,6-(13)-C-(6)]-GLUCOSEPENTA-O-ACETATE
Compound Number 8
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C2013C12H44O22
InChI InChI=1S/2C16H22O11/c2*1-7(17)22-6-12-13(23-8(2)18)14(24-9(3)19)15(25-10(4)20)16(27-12)26-11(5)21/h2*12-16H,6H2,1-5H3/t12-,13-,14+,15-,16+;12-,13-,14+,15-,16-/m00/s1/i2*6+1,12+1,13+1,14+1,15+1,16+1
InChIKey HFMSSULJHCLTKD-ZFOVOJCRSA-N
Literature Reference Author I.M.LAGOJA,S.POCHET,V.BOUDOU,R.LITTLE,E.LESCRINIER,J.ROZENSK I,P.HERDEWIJN
Literature Reference Citation J.ORG.CHEM.,68,1867(2003)
Literature Reference DOI 10.1021/jo0205098
Molecular Weight 792.596 g/mol
Solvent CDCl3
Source File Reference UWVN25554
SpectraBase Batch ID 3a0iTS97kBG