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5-Benzoylamino-3-o-benzyl-5-deoxy-1,2-o-isopropylidene-4A-carba-.alpha.-dl-xylofuranose

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

5-Benzoylamino-3-o-benzyl-5-deoxy-1,2-o-isopropylidene-4A-carba-.alpha.-dl-xylofuranose
SpectraBase Compound ID 8KO3WT1DYWH
InChI InChI=1S/C23H27NO4/c1-23(2)27-19-13-18(14-24-22(25)17-11-7-4-8-12-17)20(21(19)28-23)26-15-16-9-5-3-6-10-16/h3-12,18-21H,13-15H2,1-2H3,(H,24,25)
InChIKey AQALDFAIRCQETP-UHFFFAOYSA-N
Mol Weight 381.47 g/mol
Molecular Formula C23H27NO4
Exact Mass 381.194008 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CbrGxMFG3gi
Name 5-Benzoylamino-3-o-benzyl-5-deoxy-1,2-o-isopropylidene-4A-carba-.alpha.-dl-xylofuranose
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 381.194008349 u
Formula C23H27NO4
InChI InChI=1S/C23H27NO4/c1-23(2)27-19-13-18(14-24-22(25)17-11-7-4-8-12-17)20(21(19)28-23)26-15-16-9-5-3-6-10-16/h3-12,18-21H,13-15H2,1-2H3,(H,24,25)
InChIKey AQALDFAIRCQETP-UHFFFAOYSA-N
Molecular Weight 381.472 g/mol
SMILES C12C(OC(O2)(C)C)CC(C1OCC=1C=CC=CC1)CNC(=O)C1=CC=CC=C1