John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=H7XcjGJ46o2 SpectraBase Spectrum ID=10prAgvLIPj

(accessed ).
#22;METHYL-6-DEOXY-6-[N'-[6-DEOXY-6-[N'-(2,3,4-TRI-O-ACETYL-6-AZIDO-6-DEOXY-BETA-D-GLUCOPYRANOSYL)-THIOUREIDO]-6-DEOXY-BETA-D-GLUCOPYRANOSYL]-THIOUREIDO
SpectraBase Compound ID H7XcjGJ46o2
InChI InChI=1S/C27H43N7O16S2/c1-8(35)45-20-13(7-31-34-28)49-24(22(47-10(3)37)21(20)46-9(2)36)33-27(52)29-5-11-14(38)16(40)18(42)23(48-11)32-26(51)30-6-12-15(39)17(41)19(43)25(44-4)50-12/h11-25,38-43H,5-7H2,1-4H3,(H2,29,33,52)(H2,30,32,51)/t11-,12-,13+,14-,15-,16+,17+,18-,19-,20+,21-,22+,23-,24+,25+/m0/s1
InChIKey PPNLDPFDBQUGGK-UQSSYHGDSA-N
Mol Weight 785.8 g/mol
Molecular Formula C27H43N7O16S2
Exact Mass 785.220772 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 10prAgvLIPj
Name #22;METHYL-6-DEOXY-6-[N'-[6-DEOXY-6-[N'-(2,3,4-TRI-O-ACETYL-6-AZIDO-6-DEOXY-BETA-D-GLUCOPYRANOSYL)-THIOUREIDO]-6-DEOXY-BETA-D-GLUCOPYRANOSYL]-THIOUREIDO
Copyright Copyright © 2016-2020 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H43N7O16S2
InChI InChI=1S/C27H43N7O16S2/c1-8(35)45-20-13(7-31-34-28)49-24(22(47-10(3)37)21(20)46-9(2)36)33-27(52)29-5-11-14(38)16(40)18(42)23(48-11)32-26(51)30-6-12-15(39)17(41)19(43)25(44-4)50-12/h11-25,38-43H,5-7H2,1-4H3,(H2,29,33,52)(H2,30,32,51)/t11-,12-,13+,14-,15-,16+,17+,18-,19-,20+,21-,22+,23-,24+,25+/m0/s1
InChIKey PPNLDPFDBQUGGK-UQSSYHGDSA-N
Literature Reference Author J.L.J.BLANCO,P.BOOTELLO,C.O.MELLET,J.M.G.FERNANDEZ
Literature Reference Citation EUR.J.ORG.CHEM.,183(2006)
Molecular Weight 785.796 g/mol
Sample ID 42779
Solvent D2O
SpectraBase Batch ID khpL81aP1u