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2(1H)-Pyridinone, 1-[2-deoxy-3,5-bis-o-(4-methylbenzoyl)-.alpha.-D-erythro-pentofuranosyl]-
SpectraBase Compound ID IAjXQVCfZd5
InChI InChI=1S/C26H25NO6/c1-17-6-10-19(11-7-17)25(29)31-16-22-21(33-26(30)20-12-8-18(2)9-13-20)15-24(32-22)27-14-4-3-5-23(27)28/h3-14,21-22,24H,15-16H2,1-2H3
InChIKey PVBNHMBLKDCXGP-UHFFFAOYSA-N
Mol Weight 447.49 g/mol
Molecular Formula C26H25NO6
Exact Mass 447.168188 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BK4zxlKshwH
Name 2(1H)-Pyridinone, 1-[2-deoxy-3,5-bis-o-(4-methylbenzoyl)-.alpha.-D-erythro-pentofuranosyl]-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 447.168187523 u
Formula C26H25NO6
InChI InChI=1S/C26H25NO6/c1-17-6-10-19(11-7-17)25(29)31-16-22-21(33-26(30)20-12-8-18(2)9-13-20)15-24(32-22)27-14-4-3-5-23(27)28/h3-14,21-22,24H,15-16H2,1-2H3
InChIKey PVBNHMBLKDCXGP-UHFFFAOYSA-N
Molecular Weight 447.487 g/mol
SMILES C1(=O)N(C2CC(OC(=O)C3=CC=C(C=C3)C)C(O2)COC(=O)C2=CC=C(C=C2)C)C=CC=C1