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#8M;5-[(1S)-1-([[(9H-FLUOREN-9-YL)-METHOXY]-CARBONYL]-AMINO)-2-METHYLPROPYL]-3-C-(2,3,4,6-TETRA-O-BENZOYL-BETA-D-GLUCOPYRANOSYL)-1,2,4-OXADIAZOLE
SpectraBase Compound ID GPsk5CRnSIu
InChI InChI=1S/C55H47N3O12/c1-33(2)44(56-55(63)65-31-42-40-29-17-15-27-38(40)39-28-16-18-30-41(39)42)50-57-49(58-70-50)48-47(69-54(62)37-25-13-6-14-26-37)46(68-53(61)36-23-11-5-12-24-36)45(67-52(60)35-21-9-4-10-22-35)43(66-48)32-64-51(59)34-19-7-3-8-20-34/h3-30,33,42-48H,31-32H2,1-2H3,(H,56,63)/t43-,44-,45-,46+,47-,48-/m0/s1
InChIKey BFDOGAOPZVNZPO-JTPIDVRLSA-N
Mol Weight 942.0 g/mol
Molecular Formula C55H47N3O12
Exact Mass 941.315974 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9e2cMvsMrSx
Name #8M;5-[(1S)-1-([[(9H-FLUOREN-9-YL)-METHOXY]-CARBONYL]-AMINO)-2-METHYLPROPYL]-3-C-(2,3,4,6-TETRA-O-BENZOYL-BETA-D-GLUCOPYRANOSYL)-1,2,4-OXADIAZOLE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C55H47N3O12
InChI InChI=1S/C55H47N3O12/c1-33(2)44(56-55(63)65-31-42-40-29-17-15-27-38(40)39-28-16-18-30-41(39)42)50-57-49(58-70-50)48-47(69-54(62)37-25-13-6-14-26-37)46(68-53(61)36-23-11-5-12-24-36)45(67-52(60)35-21-9-4-10-22-35)43(66-48)32-64-51(59)34-19-7-3-8-20-34/h3-30,33,42-48H,31-32H2,1-2H3,(H,56,63)/t43-,44-,45-,46+,47-,48-/m0/s1
InChIKey BFDOGAOPZVNZPO-JTPIDVRLSA-N
Literature Reference Author M.BENLTIFA,S.VIDAL,B.FENET,M.MSADDEK,P.G.GOEKJIAN,J.P.PRALY, A.BRUNYANSZKI,T.DOCS
Literature Reference Citation EUR.J.ORG.CHEM.,4242(2006)
Molecular Weight 941.991 g/mol
Sample ID 32883
Solvent CDCl3