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#5;1,2,3,6-TETRA-O-BENZOYL-ALPHA-D-MANNOPYRANOSYL-4-[2,3,4-TRI-O-BENZOYL-6-O-(PARA,PARA'-DIMETHOXYTRITYL)-ALPHA-D-MANNOPYRANOSYL-PHOSPHATE]-TRIETHYLAMMONIUM-SA
SpectraBase Compound ID 9KidnAOJ9GD
InChI InChI=1S/C61H51O21P.C6H15N/c62-36-45-47(75-54(64)39-24-10-2-11-25-39)49(76-55(65)40-26-12-3-13-27-40)52(79-58(68)43-32-18-6-19-33-43)61(73-45)82-83(70,71)81-48-46(37-72-53(63)38-22-8-1-9-23-38)74-60(80-59(69)44-34-20-7-21-35-44)51(78-57(67)42-30-16-5-17-31-42)50(48)77-56(66)41-28-14-4-15-29-41;1-4-7(5-2)6-3/h1-35,45-52,60-62H,36-37H2,(H,70,71);4-6H2,1-3H3/t45-,46-,47-,48-,49+,50+,51+,52+,60-,61-;/m1./s1
InChIKey UOUGNGFKZSIPMX-ANABODLPSA-N
Mol Weight 1252.2 g/mol
Molecular Formula C67H66NO21P
Exact Mass 1251.386495 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4T7YE3ivlV0
Name #5;1,2,3,6-TETRA-O-BENZOYL-ALPHA-D-MANNOPYRANOSYL-4-[2,3,4-TRI-O-BENZOYL-6-O-(PARA,PARA'-DIMETHOXYTRITYL)-ALPHA-D-MANNOPYRANOSYL-PHOSPHATE]-TRIETHYLAMMONIUM-SA
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C67H66NO21P
InChI InChI=1S/C61H51O21P.C6H15N/c62-36-45-47(75-54(64)39-24-10-2-11-25-39)49(76-55(65)40-26-12-3-13-27-40)52(79-58(68)43-32-18-6-19-33-43)61(73-45)82-83(70,71)81-48-46(37-72-53(63)38-22-8-1-9-23-38)74-60(80-59(69)44-34-20-7-21-35-44)51(78-57(67)42-30-16-5-17-31-42)50(48)77-56(66)41-28-14-4-15-29-41;1-4-7(5-2)6-3/h1-35,45-52,60-62H,36-37H2,(H,70,71);4-6H2,1-3H3/t45-,46-,47-,48-,49+,50+,51+,52+,60-,61-;/m1./s1
InChIKey UOUGNGFKZSIPMX-ANABODLPSA-N
Literature Reference Author A.V.NIKOLAEV,T.J.RUTHERFORD,M.A.J.FERGUSON,J.S.BRIMACOMBE
Literature Reference Citation J.CHEM.SOC.PERKIN-1,1559(1996)
Literature Reference DOI 10.1039/p19960001559
Molecular Weight 1252.229 g/mol
Solvent CDCl3