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(4R,5S)-3-[(2R,3S)-3-[(4-Nitrobenzoyl)oxy]-2-methyloctanoyl]-4-methyl-5-phenyl-2-oxazoidinone

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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

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 26sMqG6VVXg
Name (4R,5S)-3-[(2R,3S)-3-[(4-Nitrobenzoyl)oxy]-2-methyloctanoyl]-4-methyl-5-phenyl-2-oxazoidinone
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 482.205301307 u
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)(C1=CC=CC=C1)[H])(C)[H])C([C@@]([C@](OC(C=1C=CC(N(=O)=O)=CC1)=O)(CCCCC)[H])(C)[H])=O)=O