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#45;4-METHOXYPHENYL-O-(METHYL-3-O-BENZYL-2,4-DI-O-PIVALOYL-ALPHA-L-IDOPYRANOSYLURONATE)-(1->3)-O-(2-DEOXY-2-TRIFLUOROACETAMIDO-BETA-D-GALACTOPYRANOSYL-(1->4)-O

View entire compound with spectra: 1 NMR

#45;4-METHOXYPHENYL-O-(METHYL-3-O-BENZYL-2,4-DI-O-PIVALOYL-ALPHA-L-IDOPYRANOSYLURONATE)-(1->3)-O-(2-DEOXY-2-TRIFLUOROACETAMIDO-BETA-D-GALACTOPYRANOSYL-(1->4)-O
SpectraBase Compound ID L1H8vZO41lG
InChI InChI=1S/C82H100F6N2O27Si/c1-77(2,3)75(98)115-61-59(103-41-45-29-21-16-22-30-45)65(116-76(99)78(4,5)6)72(113-62(61)67(94)101-14)110-56-52(89-73(96)81(83,84)85)70(107-50(39-91)54(56)92)112-60-58(102-40-44-27-19-15-20-28-44)64(109-66(93)47-33-25-18-26-34-47)71(114-63(60)68(95)104-42-46-31-23-17-24-32-46)111-57-53(90-74(97)82(86,87)88)69(106-49-37-35-48(100-13)36-38-49)108-51-43-105-118(79(7,8)9,80(10,11)12)117-55(51)57/h15-38,50-65,69-72,91-92H,39-43H2,1-14H3,(H,89,96)(H,90,97)/t50-,51-,52-,53-,54+,55+,56-,57-,58-,59+,60-,61+,62-,63-,64+,65-,69-,70+,71+,72-/m1/s1
InChIKey KCJFTRYGBZMFKK-CZWBAQCUSA-N
Mol Weight 1687.8 g/mol
Molecular Formula C82H100F6N2O27Si
Exact Mass 1686.618691 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9P5LA6cP0Aw
Name #45;4-METHOXYPHENYL-O-(METHYL-3-O-BENZYL-2,4-DI-O-PIVALOYL-ALPHA-L-IDOPYRANOSYLURONATE)-(1->3)-O-(2-DEOXY-2-TRIFLUOROACETAMIDO-BETA-D-GALACTOPYRANOSYL-(1->4)-O
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C82H100F6N2O27Si
InChI InChI=1S/C82H100F6N2O27Si/c1-77(2,3)75(98)115-61-59(103-41-45-29-21-16-22-30-45)65(116-76(99)78(4,5)6)72(113-62(61)67(94)101-14)110-56-52(89-73(96)81(83,84)85)70(107-50(39-91)54(56)92)112-60-58(102-40-44-27-19-15-20-28-44)64(109-66(93)47-33-25-18-26-34-47)71(114-63(60)68(95)104-42-46-31-23-17-24-32-46)111-57-53(90-74(97)82(86,87)88)69(106-49-37-35-48(100-13)36-38-49)108-51-43-105-118(79(7,8)9,80(10,11)12)117-55(51)57/h15-38,50-65,69-72,91-92H,39-43H2,1-14H3,(H,89,96)(H,90,97)/t50-,51-,52-,53-,54+,55+,56-,57-,58-,59+,60-,61+,62-,63-,64+,65-,69-,70+,71+,72-/m1/s1
InChIKey KCJFTRYGBZMFKK-CZWBAQCUSA-N
Literature Reference Author G.MACCHIONE,S.MAZA,M.M.KAYSER,J.L.DEPAZ,P.M.NIETO
Literature Reference Citation EUR.J.ORG.CHEM.,2014,3868(2014)
Literature Reference DOI 10.1002/ejoc.201402222
Molecular Weight 1687.769 g/mol
Solvent CDCl3
Source File Reference UWLU85344