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1H-Cyclopent[C]isoxazole, 1-[2,3:5,6-bis-o-(1-methylethylidene)-alpha-D-mannofuranosyl]hexahydro-4,5,6-tris(phenylmethoxy)-, [3ar-

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

1H-Cyclopent[C]isoxazole, 1-[2,3:5,6-bis-o-(1-methylethylidene)-alpha-D-mannofuranosyl]hexahydro-4,5,6-tris(phenylmethoxy)-, [3ar-
SpectraBase Compound ID 2PCRvofIUJ6
InChI InChI=1S/C25H35NO7.2C7H8O/c1-24(2)28-14-19(31-24)20-21-22(33-25(3,4)32-21)23(30-20)26-18-11-17(10-16(18)13-29-26)27-12-15-8-6-5-7-9-15;2*8-6-7-4-2-1-3-5-7/h5-9,16-23H,10-14H2,1-4H3;2*1-5,8H,6H2
InChIKey XREFRGHPPUPRCR-UHFFFAOYSA-N
Mol Weight 677.84 g/mol
Molecular Formula C39H51NO9
Exact Mass 677.356382 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CMCVkQ2j44w
Name 1H-Cyclopent[C]isoxazole, 1-[2,3:5,6-bis-o-(1-methylethylidene)-alpha-D-mannofuranosyl]hexahydro-4,5,6-tris(phenylmethoxy)-, [3ar-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 677.356382217 u
Formula C39H51NO9
InChI InChI=1S/C25H35NO7.2C7H8O/c1-24(2)28-14-19(31-24)20-21-22(33-25(3,4)32-21)23(30-20)26-18-11-17(10-16(18)13-29-26)27-12-15-8-6-5-7-9-15;2*8-6-7-4-2-1-3-5-7/h5-9,16-23H,10-14H2,1-4H3;2*1-5,8H,6H2
InChIKey XREFRGHPPUPRCR-UHFFFAOYSA-N
Molecular Weight 677.835 g/mol
Nominal Mass 677 u
SMILES OCc1ccccc1.C1(OC(C2C1OC(O2)(C)C)N1OCC2C1CC(C2)OCc1ccccc1)C1OC(OC1)(C)C.OCc1ccccc1