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#9;5-(METHOXYCARBONYL)-PENTYL-3,4-DI-O-BENZOYL-2-O-METHYL-ALPHA-L-FUCOPYRANOSYL-(1->2)-3,6-DI-O-BENZYL-4-O-METHYL-BETA-D-GALACTOPYRANOSYL-(1->3)-4,6-DI-O-ACETY
SpectraBase Compound ID ETF0NuzZn9t
InChI InChI=1S/C59H71N3O20/c1-36-47(79-55(66)41-26-16-9-17-27-41)52(80-56(67)42-28-18-10-19-29-42)53(70-6)58(75-36)82-54-51(74-33-40-24-14-8-15-25-40)48(69-5)43(34-71-32-39-22-12-7-13-23-39)78-59(54)81-50-46(61-62-60)57(72-31-21-11-20-30-45(65)68-4)77-44(35-73-37(2)63)49(50)76-38(3)64/h7-10,12-19,22-29,36,43-44,46-54,57-59H,11,20-21,30-35H2,1-6H3/t36-,43+,44-,46-,47+,48-,49+,50-,51-,52+,53-,54+,57+,58-,59-/m0/s1
InChIKey FIBRBKAFWLTTAM-YEKATMDNSA-N
Mol Weight 1142.2 g/mol
Molecular Formula C59H71N3O20
Exact Mass 1141.463092 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID UDz6sngRX
Name #9;5-(METHOXYCARBONYL)-PENTYL-3,4-DI-O-BENZOYL-2-O-METHYL-ALPHA-L-FUCOPYRANOSYL-(1->2)-3,6-DI-O-BENZYL-4-O-METHYL-BETA-D-GALACTOPYRANOSYL-(1->3)-4,6-DI-O-ACETY
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C59H71N3O20
InChI InChI=1S/C59H71N3O20/c1-36-47(79-55(66)41-26-16-9-17-27-41)52(80-56(67)42-28-18-10-19-29-42)53(70-6)58(75-36)82-54-51(74-33-40-24-14-8-15-25-40)48(69-5)43(34-71-32-39-22-12-7-13-23-39)78-59(54)81-50-46(61-62-60)57(72-31-21-11-20-30-45(65)68-4)77-44(35-73-37(2)63)49(50)76-38(3)64/h7-10,12-19,22-29,36,43-44,46-54,57-59H,11,20-21,30-35H2,1-6H3/t36-,43+,44-,46-,47+,48-,49+,50-,51-,52+,53-,54+,57+,58-,59-/m0/s1
InChIKey FIBRBKAFWLTTAM-YEKATMDNSA-N
Literature Reference Author A.KOIZUMI,K.YAMANO,T.TSUCHIYA,F.SCHWEIZER,F.KIUCHI,N.HADA
Literature Reference Citation MOLECULES,17,9023(2012)
Literature Reference DOI 10.3390/molecules17089023
Molecular Weight 1142.221 g/mol
Sample ID 1318
Solvent CDCl3