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O-[(1S)-N-[[(9H-FLUOREN-9-YL)-METHOXY]-CARBONYL]-VALINOYL]-C-(2,3,4,6-TETRA-O-BENZOYL-BETA-D-GLUCOPYRANOSYL)-FORMAMIDOXIME
SpectraBase Compound ID IXEzrd6txKv
InChI InChI=1S/C55H49N3O13/c1-33(2)44(57-55(64)66-31-42-40-29-17-15-27-38(40)39-28-16-18-30-41(39)42)54(63)71-58-49(56)48-47(70-53(62)37-25-13-6-14-26-37)46(69-52(61)36-23-11-5-12-24-36)45(68-51(60)35-21-9-4-10-22-35)43(67-48)32-65-50(59)34-19-7-3-8-20-34/h3-30,33,42-48H,31-32H2,1-2H3,(H2,56,58)(H,57,64)/t43-,44+,45-,46+,47-,48-/m1/s1
InChIKey ZYDVMCZVLANLTC-BAPIOKIFSA-N
Mol Weight 960.0 g/mol
Molecular Formula C55H49N3O13
Exact Mass 959.326539 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8WwwLptMIVN
Name O-[(1S)-N-[[(9H-FLUOREN-9-YL)-METHOXY]-CARBONYL]-VALINOYL]-C-(2,3,4,6-TETRA-O-BENZOYL-BETA-D-GLUCOPYRANOSYL)-FORMAMIDOXIME
Compound Number 6M
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C55H49N3O13
InChI InChI=1S/C55H49N3O13/c1-33(2)44(57-55(64)66-31-42-40-29-17-15-27-38(40)39-28-16-18-30-41(39)42)54(63)71-58-49(56)48-47(70-53(62)37-25-13-6-14-26-37)46(69-52(61)36-23-11-5-12-24-36)45(68-51(60)35-21-9-4-10-22-35)43(67-48)32-65-50(59)34-19-7-3-8-20-34/h3-30,33,42-48H,31-32H2,1-2H3,(H2,56,58)(H,57,64)/t43-,44+,45-,46+,47-,48-/m1/s1
InChIKey ZYDVMCZVLANLTC-BAPIOKIFSA-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 960.006 g/mol
Sample ID 32870
Solvent CDCl3