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#4;N-(9H-FLUOREN-9-YL)-METHOXYCARBONYL-[BETA-2,3,4,6-TETRA-O-ACETYL-GALACTOPYRANOSYL)-(1->3)-(ALPHA-2-ACETAMIDO-4,6-DI-O-ACETYL-2-DEOXY-GALACTOPYRANOSYL)]-BETA
SpectraBase Compound ID IRb95DISoYo
InChI InChI=1S/C46H56N2O21/c1-21(34(17-37(56)57)48-46(58)61-18-33-31-15-11-9-13-29(31)30-14-10-12-16-32(30)33)62-44-38(47-22(2)49)41(39(63-25(5)52)35(67-44)19-59-23(3)50)69-45-43(66-28(8)55)42(65-27(7)54)40(64-26(6)53)36(68-45)20-60-24(4)51/h9-16,21,33-36,38-45H,17-20H2,1-8H3,(H,47,49)(H,48,58)(H,56,57)/t21?,34-,35+,36+,38+,39-,40-,41+,42-,43+,44-,45-/m1/s1
InChIKey QKNCBQLLYVIKDG-AZBJLRKRSA-N
Mol Weight 972.9 g/mol
Molecular Formula C46H56N2O21
Exact Mass 972.337557 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2ryrJo1JCYq
Name #4;N-(9H-FLUOREN-9-YL)-METHOXYCARBONYL-[BETA-2,3,4,6-TETRA-O-ACETYL-GALACTOPYRANOSYL)-(1->3)-(ALPHA-2-ACETAMIDO-4,6-DI-O-ACETYL-2-DEOXY-GALACTOPYRANOSYL)]-BETA
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C46H56N2O21
InChI InChI=1S/C46H56N2O21/c1-21(34(17-37(56)57)48-46(58)61-18-33-31-15-11-9-13-29(31)30-14-10-12-16-32(30)33)62-44-38(47-22(2)49)41(39(63-25(5)52)35(67-44)19-59-23(3)50)69-45-43(66-28(8)55)42(65-27(7)54)40(64-26(6)53)36(68-45)20-60-24(4)51/h9-16,21,33-36,38-45H,17-20H2,1-8H3,(H,47,49)(H,48,58)(H,56,57)/t21?,34-,35+,36+,38+,39-,40-,41+,42-,43+,44-,45-/m1/s1
InChIKey QKNCBQLLYVIKDG-AZBJLRKRSA-N
Literature Reference Author F.KARCH,A.HOFFMANN-ROEDER
Literature Reference Citation BEIL.J.ORG.CHEM.,6,47,1(2010)
Molecular Weight 972.951 g/mol
Solvent CD3OD
Source File Reference UWBT10227