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(6R,7R)-3-[(E)-3-butoxy-3-keto-prop-1-enyl]-8-keto-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid methyl ester

View entire compound with spectra: 1 NMR

(6R,7R)-3-[(E)-3-butoxy-3-keto-prop-1-enyl]-8-keto-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid methyl ester
SpectraBase Compound ID LY03PWKWX0i
InChI InChI=1S/C23H26N2O6S/c1-3-4-12-31-18(27)11-10-16-14-32-22-19(21(28)25(22)20(16)23(29)30-2)24-17(26)13-15-8-6-5-7-9-15/h5-11,19,22H,3-4,12-14H2,1-2H3,(H,24,26)/b11-10+/t19-,22-/m1/s1
InChIKey MEARCJXYEXFXQK-VTXMGJMISA-N
Mol Weight 458.53 g/mol
Molecular Formula C23H26N2O6S
Exact Mass 458.151158 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DDD5XXunIFa
Name (6R,7R)-3-[(E)-3-butoxy-3-keto-prop-1-enyl]-8-keto-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid methyl ester
Compound Number 3H
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H26N2O6S
InChI InChI=1S/C23H26N2O6S/c1-3-4-12-31-18(27)11-10-16-14-32-22-19(21(28)25(22)20(16)23(29)30-2)24-17(26)13-15-8-6-5-7-9-15/h5-11,19,22H,3-4,12-14H2,1-2H3,(H,24,26)/b11-10+/t19-,22-/m1/s1
InChIKey MEARCJXYEXFXQK-VTXMGJMISA-N
Literature Reference Author J.PITLIK,T.E.GUNDA,G.BETTA,J.JEKOE
Literature Reference Citation J.CHEM.SOC.PERKIN-1,3043(1994)
Literature Reference DOI 10.1039/p19940003043
Molecular Weight 458.529 g/mol
Solvent CDCl3
Source File Reference UWRU4289