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L-CYSTINE-BIS-[2-(ALPHA-D-MANNOPYRANOSYL-OXY)-ETHYL]-AMIDE
SpectraBase Compound ID 53MQFhhqqRK
InChI InChI=1S/C22H42N4O14S2/c23-9(19(35)25-1-3-37-21-17(33)15(31)13(29)11(5-27)39-21)7-41-42-8-10(24)20(36)26-2-4-38-22-18(34)16(32)14(30)12(6-28)40-22/h9-18,21-22,27-34H,1-8,23-24H2,(H,25,35)(H,26,36)/t9-,10-,11+,12+,13+,14+,15-,16-,17-,18-,21-,22-/m0/s1
InChIKey ITAZIMRFVONDTM-PJNPRBHNSA-N
Mol Weight 650.7 g/mol
Molecular Formula C22H42N4O14S2
Exact Mass 650.213894 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID I7tw63Fk44i
Name L-CYSTINE-BIS-[2-(ALPHA-D-MANNOPYRANOSYL-OXY)-ETHYL]-AMIDE
Compound Number 3-DIMER
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H42N4O14S2
InChI InChI=1S/C22H42N4O14S2/c23-9(19(35)25-1-3-37-21-17(33)15(31)13(29)11(5-27)39-21)7-41-42-8-10(24)20(36)26-2-4-38-22-18(34)16(32)14(30)12(6-28)40-22/h9-18,21-22,27-34H,1-8,23-24H2,(H,25,35)(H,26,36)/t9-,10-,11+,12+,13+,14+,15-,16-,17-,18-,21-,22-/m0/s1
InChIKey ITAZIMRFVONDTM-PJNPRBHNSA-N
Literature Reference Author J.W.WEHNER,T.K.LINDHORST
Literature Reference Citation BEIL.J.ORG.CHEM.,8,2149(2012)
Literature Reference DOI 10.3762/bjoc.8.242
Molecular Weight 650.714 g/mol
Solvent D2O
Source File Reference UWIR11260