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N(ALPHA)-(9-FLUORENYLMETHYLOXYCARBONYL)-THREONINE-(2-ACETAMIDO-3,4,6-TRI-O-ACETYL-2-DEOXY-BETA-D-GLUCOPYRANOSE)-O-PENTAFLUOROPHENYLESTER
SpectraBase Compound ID C6yxixjUMPR
InChI InChI=1S/C39H37F5N2O13/c1-16(55-38-33(45-17(2)47)36(57-20(5)50)34(56-19(4)49)26(58-38)15-53-18(3)48)32(37(51)59-35-30(43)28(41)27(40)29(42)31(35)44)46-39(52)54-14-25-23-12-8-6-10-21(23)22-11-7-9-13-24(22)25/h6-13,16,25-26,32-34,36,38H,14-15H2,1-5H3,(H,45,47)(H,46,52)/t16-,26-,32-,33-,34-,36-,38-/m0/s1
InChIKey HMOUZZVBDIFIRS-BYEIZOEISA-N
Mol Weight 836.7 g/mol
Molecular Formula C39H37F5N2O13
Exact Mass 836.22158 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2iW2YAj32hN
Name N(ALPHA)-(9-FLUORENYLMETHYLOXYCARBONYL)-THREONINE-(2-ACETAMIDO-3,4,6-TRI-O-ACETYL-2-DEOXY-BETA-D-GLUCOPYRANOSE)-O-PENTAFLUOROPHENYLESTER
Compound Number 12
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C39H37F5N2O13
InChI InChI=1S/C39H37F5N2O13/c1-16(55-38-33(45-17(2)47)36(57-20(5)50)34(56-19(4)49)26(58-38)15-53-18(3)48)32(37(51)59-35-30(43)28(41)27(40)29(42)31(35)44)46-39(52)54-14-25-23-12-8-6-10-21(23)22-11-7-9-13-24(22)25/h6-13,16,25-26,32-34,36,38H,14-15H2,1-5H3,(H,45,47)(H,46,52)/t16-,26-,32-,33-,34-,36-,38-/m0/s1
InChIKey HMOUZZVBDIFIRS-BYEIZOEISA-N
Literature Reference Author K.J.JENSEN,P.R.HANSEN,D.VENUGOPAL,G.BARANY
Literature Reference Citation J.AM.CHEM.SOC.,118,3148(1996)
Literature Reference DOI 10.1021/ja953529i
Molecular Weight 836.720 g/mol
Sample ID 38314
Solvent Unknown