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METHYL_((2,3-DIFLUOROBENZYL)-5-(ORTHO-NITROSULFONAMIDO)-4,7,8-TRI-O-ACETYL-9-AZIDO-3,5,9-TRIDEOXY-D-GLYCERO-ALPHA-D-GALACTO-2-NONULO

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METHYL_((2,3-DIFLUOROBENZYL)-5-(ORTHO-NITROSULFONAMIDO)-4,7,8-TRI-O-ACETYL-9-AZIDO-3,5,9-TRIDEOXY-D-GLYCERO-ALPHA-D-GALACTO-2-NONULO
SpectraBase Compound ID 5swYGEP3Cvw
InChI InChI=1S/C29H31F2N5O14S/c1-15(37)47-21-12-29(28(40)45-4,46-14-18-8-7-9-19(30)24(18)31)50-27(26(49-17(3)39)22(13-33-35-32)48-16(2)38)25(21)34-51(43,44)23-11-6-5-10-20(23)36(41)42/h5-11,21-22,25-27,34H,12-14H2,1-4H3/t21-,22+,25+,26-,27+,29+/m0/s1
InChIKey OZGCTFSQYSJOOB-JWIJBQRISA-N
Mol Weight 743.64 g/mol
Molecular Formula C29H31F2N5O14S
Exact Mass 743.155628 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1pTZd0CoXX
Name METHYL_((2,3-DIFLUOROBENZYL)-5-(ORTHO-NITROSULFONAMIDO)-4,7,8-TRI-O-ACETYL-9-AZIDO-3,5,9-TRIDEOXY-D-GLYCERO-ALPHA-D-GALACTO-2-NONULO
Compound Number 17C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H31F2N5O14S
InChI InChI=1S/C29H31F2N5O14S/c1-15(37)47-21-12-29(28(40)45-4,46-14-18-8-7-9-19(30)24(18)31)50-27(26(49-17(3)39)22(13-33-35-32)48-16(2)38)25(21)34-51(43,44)23-11-6-5-10-20(23)36(41)42/h5-11,21-22,25-27,34H,12-14H2,1-4H3/t21-,22+,25+,26-,27+,29+/m0/s1
InChIKey OZGCTFSQYSJOOB-JWIJBQRISA-N
Literature Reference Author S.MESCH,D.MOSER,D.S.STRASSER,A.KELM,B.CUTTING,G.ROSSATO,A.VE DANI,H.KOLIWER-BRAND
Literature Reference Citation J.MED.CHEM.,53,1597(2010)
Literature Reference DOI 10.1021/jm901517k
Molecular Weight 743.647 g/mol
Solvent CDCl3
Source File Reference UWMZ46778