John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=7jJQPg9lrJ SpectraBase Spectrum ID=erngQ8DSiM

(accessed ).
(5-Methoxycarbonyl-pentyl) .beta.-D-galactopyranosyl-(1->3)-2-acetamido-2-deoxy.beta.-D-galactopyranoside
SpectraBase Compound ID 7jJQPg9lrJ
InChI InChI=1S/C21H37NO13/c1-10(25)22-14-19(35-21-18(30)17(29)15(27)11(8-23)34-21)16(28)12(9-24)33-20(14)32-7-5-3-4-6-13(26)31-2/h11-12,14-21,23-24,27-30H,3-9H2,1-2H3,(H,22,25)
InChIKey TUGUNBQFNAJZCY-UHFFFAOYSA-N
Mol Weight 511.5 g/mol
Molecular Formula C21H37NO13
Exact Mass 511.226491 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID erngQ8DSiM
Name (5-Methoxycarbonyl-pentyl) .beta.-D-galactopyranosyl-(1->3)-2-acetamido-2-deoxy.beta.-D-galactopyranoside
CAS Registry Number 100605-23-0
Copyright Copyright © 2002-2021 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C21H37NO13
InChI InChI=1S/C21H37NO13/c1-10(25)22-14-19(35-21-18(30)17(29)15(27)11(8-23)34-21)16(28)12(9-24)33-20(14)32-7-5-3-4-6-13(26)31-2/h11-12,14-21,23-24,27-30H,3-9H2,1-2H3,(H,22,25)
InChIKey TUGUNBQFNAJZCY-UHFFFAOYSA-N
Instrument Name Finnigan 4021
Literature Reference S. Sabesan, J.C. Paulson, J. Am. Chem. Soc. 108, 2068 (1986).
NMR Standard Dioxane
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent D2O
SpectraBase Batch ID 91I9K3VwkIs