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endo-Methyl (2R,3R,3aS/R)-2-[1,1-[(1R,2R)-1,2-diphenylethylenedioxy]ethyl]hexahydro-2H-isoxazolo[2,3-a]pyridine-3-carboxylate

View entire compound with spectra: 2 MS (GC)

endo-Methyl (2R,3R,3aS/R)-2-[1,1-[(1R,2R)-1,2-diphenylethylenedioxy]ethyl]hexahydro-2H-isoxazolo[2,3-a]pyridine-3-carboxylate
SpectraBase Compound ID D0QHCFaYqgX
InChI InChI=1S/C25H29NO5/c1-25(23-20(24(27)28-2)19-15-9-10-16-26(19)31-23)29-21(17-11-5-3-6-12-17)22(30-25)18-13-7-4-8-14-18/h3-8,11-14,19-23H,9-10,15-16H2,1-2H3/t19-,20+,21?,22?,23+,25?/m0/s1
InChIKey XDCDKSPRYVPUGY-KPGQSFFDSA-N
Mol Weight 423.51 g/mol
Molecular Formula C25H29NO5
Exact Mass 423.204573 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H481uDHH20Y
Name endo-Methyl (2R,3R,3aS/R)-2-[1,1-[(1R,2R)-1,2-diphenylethylenedioxy]ethyl]hexahydro-2H-isoxazolo[2,3-a]pyridine-3-carboxylate
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Formula C25H29NO5
InChI InChI=1S/C25H29NO5/c1-25(23-20(24(27)28-2)19-15-9-10-16-26(19)31-23)29-21(17-11-5-3-6-12-17)22(30-25)18-13-7-4-8-14-18/h3-8,11-14,19-23H,9-10,15-16H2,1-2H3/t19-,20+,21?,22?,23+,25?/m0/s1
InChIKey XDCDKSPRYVPUGY-KPGQSFFDSA-N
Molecular Weight 423.509 g/mol
SMILES [C@@]1(C2(OC(c3ccccc3)C(O2)c2ccccc2)C)([C@@]([C@@]2(CCCCN2O1)[H])(C(=O)OC)[H])[H]
SPLASH splash10-002n-3920000000-027812df8ed64d2e520b
Source of Spectrum KD-12-1753-16
Synonyms exo-Methyl (2R,3R,3a/S)-2-[1,1-[(1R,2R)-1,2-diphenylethylenedioxy]ethyl]hexahydro-2H-isoxazolo[2,3-a]pyridine-3-carboxylate
Wiley ID 1634528