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6-O-(L-TYROSILGLYCYLGLYCYL-L-PHENYLALANYL-L-LEUCYL)-ALPHA-D-MANNOPYRANOSE
SpectraBase Compound ID 63iQ5ZWYuRQ
InChI InChI=1S/C36H49N5O14/c1-19(2)12-25(35(52)54-18-26-30(47)31(48)32(49)36(53)55-26)41-34(51)24(13-20-6-4-3-5-7-20)39-28(45)16-37-27(44)15-38-33(50)23(40-29(46)17-42)14-21-8-10-22(43)11-9-21/h3-11,19,23-26,30-32,36,42-43,47-49,53H,12-18H2,1-2H3,(H,37,44)(H,38,50)(H,39,45)(H,40,46)(H,41,51)/t23?,24?,25?,26-,30-,31+,32+,36+/m1/s1
InChIKey ITGXTVLUOCEXFQ-VKNGPYJQSA-N
Mol Weight 775.8 g/mol
Molecular Formula C36H49N5O14
Exact Mass 775.327601 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6Wd8ugYL4WZ
Name 6-O-(L-TYROSILGLYCYLGLYCYL-L-PHENYLALANYL-L-LEUCYL)-ALPHA-D-MANNOPYRANOSE
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C36H49N5O14
InChI InChI=1S/C36H49N5O14/c1-19(2)12-25(35(52)54-18-26-30(47)31(48)32(49)36(53)55-26)41-34(51)24(13-20-6-4-3-5-7-20)39-28(45)16-37-27(44)15-38-33(50)23(40-29(46)17-42)14-21-8-10-22(43)11-9-21/h3-11,19,23-26,30-32,36,42-43,47-49,53H,12-18H2,1-2H3,(H,37,44)(H,38,50)(H,39,45)(H,40,46)(H,41,51)/t23?,24?,25?,26-,30-,31+,32+,36+/m1/s1
InChIKey ITGXTVLUOCEXFQ-VKNGPYJQSA-N
Literature Reference Author L.VARGA-DEFTERDAROVIC,D.VIKIC-TOPIC,S.HORVAT
Literature Reference Citation J.CHEM.SOC.PERKIN-1,2829(1999)
Literature Reference DOI 10.1039/a902522g
Molecular Weight 775.810 g/mol
Solvent DMSO-D6
Source File Reference UWRU8879