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(4R)-4-Phenylmethyl-3-[[(5R)-5-[(4R)-2,2-diethyl-[1,3]dioxolan-4-yl]]-(2R,3S)-3-hydroxy-5-(4-methoxybenzyloxy)-2-methyl-pentanoyl]-oxazolidin-2-one

View entire compound with spectra: 1 NMR, and 1 MS (GC)

(4R)-4-Phenylmethyl-3-[[(5R)-5-[(4R)-2,2-diethyl-[1,3]dioxolan-4-yl]]-(2R,3S)-3-hydroxy-5-(4-methoxybenzyloxy)-2-methyl-pentanoyl]-oxazolidin-2-one
SpectraBase Compound ID DbFoNetyjaC
InChI InChI=1S/C31H41NO8/c1-5-31(6-2)39-20-28(40-31)27(37-18-23-12-14-25(36-4)15-13-23)17-26(33)21(3)29(34)32-24(19-38-30(32)35)16-22-10-8-7-9-11-22/h7-15,21,24,26-28,33H,5-6,16-20H2,1-4H3/t21-,24-,26+,27-,28-/m1/s1
InChIKey IZMUNGUHCHAUCV-XHRNDARMSA-N
Mol Weight 555.7 g/mol
Molecular Formula C31H41NO8
Exact Mass 555.283217 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 70336L4P7e3
Name (4R)-4-Phenylmethyl-3-[[(5R)-5-[(4R)-2,2-diethyl-[1,3]dioxolan-4-yl]]-(2R,3S)-3-hydroxy-5-(4-methoxybenzyloxy)-2-methyl-pentanoyl]-oxazolidin-2-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 555.283217276 u
Formula C31H41NO8
InChI InChI=1S/C31H41NO8/c1-5-31(6-2)39-20-28(40-31)27(37-18-23-12-14-25(36-4)15-13-23)17-26(33)21(3)29(34)32-24(19-38-30(32)35)16-22-10-8-7-9-11-22/h7-15,21,24,26-28,33H,5-6,16-20H2,1-4H3/t21-,24-,26+,27-,28-/m1/s1
InChIKey IZMUNGUHCHAUCV-XHRNDARMSA-N
Molecular Weight 555.668 g/mol
SMILES C(C1(OC[C@]([C@@](C[C@](O)([C@@](C)(C(=O)N2C(OC[C@]2(CC2=CC=CC=C2)[H])=O)[H])[H])(OCC2=CC=C(C=C2)OC)[H])(O1)[H])CC)C