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(4aRS,7RS,9aRS,9bRS)-octahydro-7-[(3RS,4RS)-tetrahydro-4-hydroxy-2-oxo-3-H-pyranyl]-1H-pyrano[3,4-b]pyrrolo[1,2-b]isoxazole-1-one

View entire compound with spectra: 1 MS (GC)

(4aRS,7RS,9aRS,9bRS)-octahydro-7-[(3RS,4RS)-tetrahydro-4-hydroxy-2-oxo-3-H-pyranyl]-1H-pyrano[3,4-b]pyrrolo[1,2-b]isoxazole-1-one
SpectraBase Compound ID DkzrY2a4iVY
InChI InChI=1S/C14H19NO6/c16-9-3-5-19-13(17)11(9)7-1-2-8-12-10(21-15(7)8)4-6-20-14(12)18/h7-12,16H,1-6H2/t7-,8-,9-,10-,11?,12-/m1/s1
InChIKey METRUCFRSMJDTH-FGXPTJDCSA-N
Mol Weight 297.31 g/mol
Molecular Formula C14H19NO6
Exact Mass 297.121237 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1ldErgBu7pT
Name (4aRS,7RS,9aRS,9bRS)-octahydro-7-[(3RS,4RS)-tetrahydro-4-hydroxy-2-oxo-3-H-pyranyl]-1H-pyrano[3,4-b]pyrrolo[1,2-b]isoxazole-1-one
Alternate Name(s) (1R,2R,5R,8R)-5-[(4R)-4-hydroxy-2-oxooxan-3-yl]-7,11-dioxa-6-azatricyclo[6.4.0.0(2,6)]dodecan-12-one
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H19NO6
InChI InChI=1S/C14H19NO6/c16-9-3-5-19-13(17)11(9)7-1-2-8-12-10(21-15(7)8)4-6-20-14(12)18/h7-12,16H,1-6H2/t7-,8-,9-,10-,11?,12-/m1/s1
InChIKey METRUCFRSMJDTH-FGXPTJDCSA-N
Molecular Weight 297.307 g/mol
SMILES O[C@]1(C([C@@]2(N3[C@@]([C@]4(C(OCC[C@]4(O3)[H])=O)[H])(CC2)[H])[H])C(OCC1)=O)[H]
SPLASH splash10-001i-0900000000-38d6a41f01ac5f46ab4b
Source of Spectrum F-53-2987-16
Wiley ID 800827