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(4R,5S)-3-[(2R,3S)-3-[(4-Nitrobenzoyl)oxy]-2-methyloctanoyl]-4-methyl-5-phenyl-2-oxazoidinone
SpectraBase Compound ID 6IdF3Mq83ag
InChI InChI=1S/C26H30N2O7/c1-4-5-7-12-22(34-25(30)20-13-15-21(16-14-20)28(32)33)17(2)24(29)27-18(3)23(35-26(27)31)19-10-8-6-9-11-19/h6,8-11,13-18,22-23H,4-5,7,12H2,1-3H3/t17-,18-,22-,23-/m1/s1
InChIKey XETPXZQYCPBBDS-DPZOUVDISA-N
Mol Weight 482.53 g/mol
Molecular Formula C26H30N2O7
Exact Mass 482.205301 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EXlf6R7HyuN
Name (4R,5S)-3-[(2R,3S)-3-[(4-Nitrobenzoyl)oxy]-2-methyloctanoyl]-4-methyl-5-phenyl-2-oxazoidinone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H30N2O7
InChI InChI=1S/C26H30N2O7/c1-4-5-7-12-22(34-25(30)20-13-15-21(16-14-20)28(32)33)17(2)24(29)27-18(3)23(35-26(27)31)19-10-8-6-9-11-19/h6,8-11,13-18,22-23H,4-5,7,12H2,1-3H3/t17-,18-,22-,23-/m1/s1
InChIKey XETPXZQYCPBBDS-DPZOUVDISA-N
Molecular Weight 482.533 g/mol
SMILES C1(N([C@@]([C@@](O1)(c1ccccc1)[H])(C)[H])C([C@@]([C@](OC(c1ccc(N(=O)=O)cc1)=O)(CCCCC)[H])(C)[H])=O)=O
SPLASH splash10-0uyi-0912000000-e71a08b2d7078147ec45
Source of Spectrum J-60-4779-13
Synonyms (1S)-1-{(1R)-1-methyl-2-[(4R,5S)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]-2-oxoethyl}hexyl 4-nitrobenzoate (4R,5S)-3-[(2R,3R)-3-[(4-Nitrobenzoyl)oxy]-2-methyloctanoyl]-4-methyl-5-phenyl-2-oxazoidinone 4-Nitrobenzoic acid [(2R,3R)-2-methyl-1-[(4R,5S)-4-methyl-2-oxo-5-phenyl-3-oxazolidinyl]-1-oxooctan-3-yl] ester [(2R,3R)-2-methyl-1-[(4R,5S)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]-1-oxooctan-3-yl] 4-nitrobenzoate [(1R)-1-[(1R)-1-methyl-2-[(4R,5S)-4-methyl-2-oxo-5-phenyl-oxazolidin-3-yl]-2-oxo-ethyl]hexyl] 4-nitrobenzoate [(2R,3R)-2-methyl-1-[(4R,5S)-4-methyl-2-oxidanylidene-5-phenyl-1,3-oxazolidin-3-yl]-1-oxidanylidene-octan-3-yl] 4-nitrobenzoate
Wiley ID 1395606