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(3S,5R,7R)-3-Acetoxy-7-(benzoyloxy)-5-((tert-butyloxycarbonyl)amino)cyclohept-1-ene
SpectraBase Compound ID 7u0IOxBdGwf
InChI InChI=1S/C21H27NO6/c1-14(23)26-17-10-11-18(27-19(24)15-8-6-5-7-9-15)13-16(12-17)22-20(25)28-21(2,3)4/h5-11,16-18H,12-13H2,1-4H3,(H,22,25)/t16-,17-,18+/m1/s1
InChIKey HTDKRPOLOCROMA-KURKYZTESA-N
Mol Weight 389.45 g/mol
Molecular Formula C21H27NO6
Exact Mass 389.183838 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ImHf1BFuo2W
Name (3S,5R,7R)-3-Acetoxy-7-(benzoyloxy)-5-((tert-butyloxycarbonyl)amino)cyclohept-1-ene
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Formula C21H27NO6
InChI InChI=1S/C21H27NO6/c1-14(23)26-17-10-11-18(27-19(24)15-8-6-5-7-9-15)13-16(12-17)22-20(25)28-21(2,3)4/h5-11,16-18H,12-13H2,1-4H3,(H,22,25)/t16-,17-,18+/m1/s1
InChIKey HTDKRPOLOCROMA-KURKYZTESA-N
Molecular Weight 389.448 g/mol
SMILES N(C(OC(C)(C)C)=O)[C@]1(C[C@@](OC(=O)c2ccccc2)(C=C[C@](C1)(OC(=O)C)[H])[H])[H]
SPLASH splash10-0a4i-8930000000-f391fe118042865fbcc9
Source of Spectrum J-60-621-25
Synonyms benzoic acid [(1R,4S,6R)-4-acetyloxy-6-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-cyclohept-2-enyl] ester [(1R,4S,6R)-4-acetoxy-6-(tert-butoxycarbonylamino)cyclohept-2-en-1-yl] benzoate [(1R,4S,6R)-4-acetyloxy-6-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohept-2-en-1-yl] benzoate
Wiley ID 536366