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(3S)-3-(4-benzoxyphenyl)-4-keto-4-[(4S,5R)-2-keto-4-methyl-5-phenyl-oxazolidin-3-yl]butyric acid tert-butyl ester
SpectraBase Compound ID 7gjq4QhW4Ri
InChI InChI=1S/C31H33NO6/c1-21-28(24-13-9-6-10-14-24)37-30(35)32(21)29(34)26(19-27(33)38-31(2,3)4)23-15-17-25(18-16-23)36-20-22-11-7-5-8-12-22/h5-18,21,26,28H,19-20H2,1-4H3/t21-,26-,28-/m0/s1
InChIKey CAORPYLIVXAECW-PTJQVGQKSA-N
Mol Weight 515.6 g/mol
Molecular Formula C31H33NO6
Exact Mass 515.230788 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3Nh4Uc0Luth
Name (3S)-3-(4-benzoxyphenyl)-4-keto-4-[(4S,5R)-2-keto-4-methyl-5-phenyl-oxazolidin-3-yl]butyric acid tert-butyl ester
Alternate Name(s) (3S)-4-[(4S,5R)-4-methyl-2-oxo-5-phenyl-3-oxazolidinyl]-4-oxo-3-(4-phenylmethoxyphenyl)butanoic acid tert-butyl ester tert-Butyl (3S)-3-(4-benzyloxyphenyl)-4-[(4S,5R)-4-methyl-2-oxo-5-phenyl-oxazolidin-3-yl]-4-oxo-butanoate tert-Butyl (3S)-4-[(4S,5R)-4-methyl-2-oxidanylidene-5-phenyl-1,3-oxazolidin-3-yl]-4-oxidanylidene-3-(4-phenylmethoxyphenyl)butanoate tert-Butyl (3S)-4-[(4S,5R)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]-4-oxo-3-(4-phenylmethoxyphenyl)butanoate
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Formula C31H33NO6
InChI InChI=1S/C31H33NO6/c1-21-28(24-13-9-6-10-14-24)37-30(35)32(21)29(34)26(19-27(33)38-31(2,3)4)23-15-17-25(18-16-23)36-20-22-11-7-5-8-12-22/h5-18,21,26,28H,19-20H2,1-4H3/t21-,26-,28-/m0/s1
InChIKey CAORPYLIVXAECW-PTJQVGQKSA-N
Molecular Weight 515.606 g/mol
SMILES C1(N([C@]([C@](O1)(c1ccccc1)[H])(C)[H])C([C@@](CC(OC(C)(C)C)=O)(c1ccc(OCc2ccccc2)cc1)[H])=O)=O
SPLASH splash10-0006-9110000000-a31c2e8161a5c2670f64
Source of Spectrum KC-0-524-8
Wiley ID 824357