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#6B;(N(ALPHA)-(TERT.-BUTOXYCARBONYL)-C-[(2',3',4',6'-TETRA-O-ACETYL-ALPHA-D-GLUCOPYRANOSYL)-(1'->4)-(2,3,6-TRI-O-ACETYL-ALPHA-D-MANNOPYRANOSYL)]-L-TYROSINE-BEN
SpectraBase Compound ID Ekx5HBJzQW5
InChI InChI=1S/C48H61NO21/c1-25(50)59-23-37-41(69-46-44(66-31(7)56)43(65-30(6)55)40(63-28(4)53)38(68-46)24-60-26(2)51)42(64-29(5)54)39(62-27(3)52)36(67-37)21-33-18-16-32(17-19-33)20-35(49-47(58)70-48(8,9)10)45(57)61-22-34-14-12-11-13-15-34/h11-19,35-44,46H,20-24H2,1-10H3,(H,49,58)/t35-,36-,37-,38-,39-,40-,41-,42-,43+,44-,46-/m1/s1
InChIKey ZMRLMVIQKHBRCS-YURSUUINSA-N
Mol Weight 988.0 g/mol
Molecular Formula C48H61NO21
Exact Mass 987.373608 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9v7hpg95Sdg
Name #6B;(N(ALPHA)-(TERT.-BUTOXYCARBONYL)-C-[(2',3',4',6'-TETRA-O-ACETYL-ALPHA-D-GLUCOPYRANOSYL)-(1'->4)-(2,3,6-TRI-O-ACETYL-ALPHA-D-MANNOPYRANOSYL)]-L-TYROSINE-BEN
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C48H61NO21
InChI InChI=1S/C48H61NO21/c1-25(50)59-23-37-41(69-46-44(66-31(7)56)43(65-30(6)55)40(63-28(4)53)38(68-46)24-60-26(2)51)42(64-29(5)54)39(62-27(3)52)36(67-37)21-33-18-16-32(17-19-33)20-35(49-47(58)70-48(8,9)10)45(57)61-22-34-14-12-11-13-15-34/h11-19,35-44,46H,20-24H2,1-10H3,(H,49,58)/t35-,36-,37-,38-,39-,40-,41-,42-,43+,44-,46-/m1/s1
InChIKey ZMRLMVIQKHBRCS-YURSUUINSA-N
Literature Reference Author A.J.PEARCE,S.RAMAYA,S.N.THORN,G.B.BLOOMBERG,D.S.WALTER,T.GAL LAGHER
Literature Reference Citation J.ORG.CHEM.,64,5453(1999)
Literature Reference DOI 10.1021/jo990253e
Molecular Weight 988.006 g/mol
Sample ID 41280
Solvent CDCl3