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3-O-ACETYL-2,5-ANHYDRO-6-O-BENZOYL-5-C-[(BENZOYLOXY)-METHYL]-4-O-BENZYL-D-ALLONONITRILE
SpectraBase Compound ID 92FyTo18sdn
InChI InChI=1S/C30H27NO8/c1-21(32)38-26-25(17-31)39-30(19-36-28(33)23-13-7-3-8-14-23,20-37-29(34)24-15-9-4-10-16-24)27(26)35-18-22-11-5-2-6-12-22/h2-16,25-27H,18-20H2,1H3/t25-,26-,27-/m1/s1
InChIKey OCRNMYUOOHPYCG-ZONZVBGPSA-N
Mol Weight 529.55 g/mol
Molecular Formula C30H27NO8
Exact Mass 529.173667 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID G1heMnWruAK
Name 3-O-ACETYL-2,5-ANHYDRO-6-O-BENZOYL-5-C-[(BENZOYLOXY)-METHYL]-4-O-BENZYL-D-ALLONONITRILE
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H27NO8
InChI InChI=1S/C30H27NO8/c1-21(32)38-26-25(17-31)39-30(19-36-28(33)23-13-7-3-8-14-23,20-37-29(34)24-15-9-4-10-16-24)27(26)35-18-22-11-5-2-6-12-22/h2-16,25-27H,18-20H2,1H3/t25-,26-,27-/m1/s1
InChIKey OCRNMYUOOHPYCG-ZONZVBGPSA-N
Literature Reference Author C.ERHAGEN,T.BRYLD,M.RAUNKJAER,S.VOGEL,K.BUCHALOVA,J.WENGEL
Literature Reference Citation EUR.J.ORG.CHEM.,2538(2006)
Molecular Weight 529.546 g/mol
Sample ID 43553
Solvent CDCl3