For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

(1R*,9R*,10S*,Z)-9-Acetoxy-11-[2-(tert-butyloxycarbonylamino)ethyl]-1-methoxy-11-azabicyclo[8.2.0]dodec-5-ene-3,7-diyne-12-one

View entire compound with spectra: 1 MS (GC)

(1R*,9R*,10S*,Z)-9-Acetoxy-11-[2-(tert-butyloxycarbonylamino)ethyl]-1-methoxy-11-azabicyclo[8.2.0]dodec-5-ene-3,7-diyne-12-one
SpectraBase Compound ID 6V5tyACZQtk
InChI InChI=1S/C21H26N2O6/c1-15(24)28-16-11-9-7-6-8-10-12-21(27-5)17(16)23(18(21)25)14-13-22-19(26)29-20(2,3)4/h6-7,16-17H,12-14H2,1-5H3,(H,22,26)/b7-6-/t16-,17+,21-/m1/s1
InChIKey LBGSQPHFEGMKNW-MBJVQYISSA-N
Mol Weight 402.45 g/mol
Molecular Formula C21H26N2O6
Exact Mass 402.179087 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID Av3C0k3WjL3
Name (1R*,9R*,10S*,Z)-9-Acetoxy-11-[2-(tert-butyloxycarbonylamino)ethyl]-1-methoxy-11-azabicyclo[8.2.0]dodec-5-ene-3,7-diyne-12-one
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H26N2O6
InChI InChI=1S/C21H26N2O6/c1-15(24)28-16-11-9-7-6-8-10-12-21(27-5)17(16)23(18(21)25)14-13-22-19(26)29-20(2,3)4/h6-7,16-17H,12-14H2,1-5H3,(H,22,26)/b7-6-/t16-,17+,21-/m1/s1
InChIKey LBGSQPHFEGMKNW-MBJVQYISSA-N
Molecular Weight 402.447 g/mol
SMILES N(C(OC(C)(C)C)=O)CCN1[C@@]2([C@@](C1=O)(CC#C\C=C/C#C[C@]2(OC(=O)C)[H])OC)[H]
SPLASH splash10-0006-6900000000-5898b55cee72ad3bdb85
Source of Spectrum U1-2002-3754-28
Synonyms (1R,9R,10S)-11-{2-[(tert-butoxycarbonyl)amino]ethyl}-1-methoxy-12-oxo-11-azabicyclo[8.2.0]dodec-5-ene-3,7-diyn-9-yl acetate Acetic acid[(1S,2R,5Z,10R)-10-methoxy-12-[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]ethyl]-11-oxo-12-azabicyclo[8.2.0]dodec-5-en-3,7-diyn-2-yl]ester Acetic acid[(1S,2R,5Z,10R)-12-[2-(tert-butoxycarbonylamino)ethyl]-11-keto-10-methoxy-12-azabicyclo[8.2.0]dodec-5-en-3,7-diyn-2-yl]ester [(1S,2R,5Z,10R)-10-methoxy-12-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-11-oxidanylidene-12-azabicyclo[8.2.0]dodec-5-en-3,7-diyn-2-yl]ethanoate [(1S,2R,5Z,10R)-10-methoxy-12-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-11-oxo-12-azabicyclo[8.2.0]dodec-5-en-3,7-diyn-2-yl]acetate [(1S,2R,5Z,10R)-12-[2-(tert-butoxycarbonylamino)ethyl]-10-methoxy-11-oxo-12-azabicyclo[8.2.0]dodec-5-en-3,7-diyn-2-yl]acetate Acetic acid [(1S,2R,5Z,10R)-10-methoxy-12-[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]ethyl]-11-oxo-12-azabicyclo[8.2.0]dodec-5-en-3,7-diyn-2-yl] ester [(1S,2R,5Z,10R)-10-methoxy-12-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-11-oxo-12-azabicyclo[8.2.0]dodec-5-en-3,7-diyn-2-yl] acetate [(1S,2R,5Z,10R)-12-[2-(tert-butoxycarbonylamino)ethyl]-10-methoxy-11-oxo-12-azabicyclo[8.2.0]dodec-5-en-3,7-diyn-2-yl] acetate [(1S,2R,5Z,10R)-10-methoxy-12-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-11-oxidanylidene-12-azabicyclo[8.2.0]dodec-5-en-3,7-diyn-2-yl] ethanoate
Wiley ID 1523480