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#12;N-ALPHA-(FLUOREN-9-YL-METHOXYCARBONYL)-O-[3,4,6-TRI-O-ACETYL-2-O-[2,3,4-TRI-O-BENZOYL-6-O-BIS-(2,2,2-TRICHLOROETHOXY)-PHOSPHORYL-ALPHA-D-MANNOPYRANOSYL]
SpectraBase Compound ID KQL2bxCffVv
InChI InChI=1S/C68H59Cl6F5NO24P/c1-33(52(63(87)101-55-50(78)48(76)47(75)49(77)51(55)79)80-66(88)91-28-44-42-26-16-14-24-40(42)41-25-15-17-27-43(41)44)95-64-59(56(97-36(4)83)53(96-35(3)82)45(98-64)29-90-34(2)81)104-65-58(103-62(86)39-22-12-7-13-23-39)57(102-61(85)38-20-10-6-11-21-38)54(100-60(84)37-18-8-5-9-19-37)46(99-65)30-92-105(89,93-31-67(69,70)71)94-32-68(72,73)74/h5-27,33,44-46,52-54,56-59,64-65H,28-32H2,1-4H3,(H,80,88)/t33-,45-,46-,52-,53-,54-,56+,57+,58+,59+,64+,65-/m0/s1
InChIKey NLUAFKPDGOQZLR-LCSANORGSA-N
Mol Weight 1612.9 g/mol
Molecular Formula C68H59Cl6F5NO24P
Exact Mass 1609.121596 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LUB6SUtagHG
Name #12;N-ALPHA-(FLUOREN-9-YL-METHOXYCARBONYL)-O-[3,4,6-TRI-O-ACETYL-2-O-[2,3,4-TRI-O-BENZOYL-6-O-BIS-(2,2,2-TRICHLOROETHOXY)-PHOSPHORYL-ALPHA-D-MANNOPYRANOSYL]
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C68H59Cl6F5NO24P
InChI InChI=1S/C68H59Cl6F5NO24P/c1-33(52(63(87)101-55-50(78)48(76)47(75)49(77)51(55)79)80-66(88)91-28-44-42-26-16-14-24-40(42)41-25-15-17-27-43(41)44)95-64-59(56(97-36(4)83)53(96-35(3)82)45(98-64)29-90-34(2)81)104-65-58(103-62(86)39-22-12-7-13-23-39)57(102-61(85)38-20-10-6-11-21-38)54(100-60(84)37-18-8-5-9-19-37)46(99-65)30-92-105(89,93-31-67(69,70)71)94-32-68(72,73)74/h5-27,33,44-46,52-54,56-59,64-65H,28-32H2,1-4H3,(H,80,88)/t33-,45-,46-,52-,53-,54-,56+,57+,58+,59+,64+,65-/m0/s1
InChIKey NLUAFKPDGOQZLR-LCSANORGSA-N
Literature Reference Author M.K.CHRISTENSEN,M.MELDAL,K.BOCK
Literature Reference Citation J.CHEM.SOC.PERKIN-1,1453(1993)
Literature Reference DOI 10.1039/p19930001453
Molecular Weight 1612.893 g/mol
Solvent CDCl3
Source File Reference UWCP6266