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N-(1,3,4,6,7-O-Ac-2-deoxy-A-D-gly-L-glu-heptopy-2-yl)-N'-(1,3,4,6,7- O-ac-2-deoxy-B-D-gly-L-glu-heptopy-2-yl)-thiourea

View entire compound with spectra: 3 NMR

N-(1,3,4,6,7-O-Ac-2-deoxy-A-D-gly-L-glu-heptopy-2-yl)-N'-(1,3,4,6,7- O-ac-2-deoxy-B-D-gly-L-glu-heptopy-2-yl)-thiourea
SpectraBase Compound ID KJblZwg1K9u
InChI InChI=1S/C35H48N2O22S/c1-13(38)48-11-23(50-15(3)40)27-31(54-19(7)44)29(52-17(5)42)25(33(58-27)56-21(9)46)36-35(60)37-26-30(53-18(6)43)32(55-20(8)45)28(59-34(26)57-22(10)47)24(51-16(4)41)12-49-14(2)39/h23-34H,11-12H2,1-10H3,(H2,36,37,60)
InChIKey IYPZBRKMCOVQAQ-UHFFFAOYSA-N
Mol Weight 880.8 g/mol
Molecular Formula C35H48N2O22S
Exact Mass 880.241942 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KGECnbGr6ah
Name N-(1,3,4,6,7-O-Ac-2-deoxy-A-D-gly-L-glu-heptopy-2-yl)-N'-(1,3,4,6,7- O-ac-2-deoxy-B-D-gly-L-glu-heptopy-2-yl)-thiourea
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C35H48N2O22S
InChI InChI=1S/C35H48N2O22S/c1-13(38)48-11-23(50-15(3)40)27-31(54-19(7)44)29(52-17(5)42)25(33(58-27)56-21(9)46)36-35(60)37-26-30(53-18(6)43)32(55-20(8)45)28(59-34(26)57-22(10)47)24(51-16(4)41)12-49-14(2)39/h23-34H,11-12H2,1-10H3,(H2,36,37,60)
InChIKey IYPZBRKMCOVQAQ-UHFFFAOYSA-N
Instrument Name RMU
Literature Reference M. Avalos, R. Babiano, P. Cintas, J. Chem. Soc. Perkin I 495 (1990).
NMR Standard not reported
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3