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(1'R,3R)-4-[(Benzyloxycarbonyl)amino]-3-hydroxybutanoic acid 2'-hydroxy-1',2',2'-triphenylethyl ester
SpectraBase Compound ID 7nyAU9MiIgC
InChI InChI=1S/C32H31NO6/c34-28(22-33-31(36)38-23-24-13-5-1-6-14-24)21-29(35)39-30(25-15-7-2-8-16-25)32(37,26-17-9-3-10-18-26)27-19-11-4-12-20-27/h1-20,28,30,34,37H,21-23H2,(H,33,36)/t28-,30-/m1/s1
InChIKey GCVDXEKLVBWUGY-PQHLKRTFSA-N
Mol Weight 525.6 g/mol
Molecular Formula C32H31NO6
Exact Mass 525.215138 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7Z6pp0u723h
Name (1'R,3R)-4-[(Benzyloxycarbonyl)amino]-3-hydroxybutanoic acid 2'-hydroxy-1',2',2'-triphenylethyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 525.215137716 u
Formula C32H31NO6
InChI InChI=1S/C32H31NO6/c34-28(22-33-31(36)38-23-24-13-5-1-6-14-24)21-29(35)39-30(25-15-7-2-8-16-25)32(37,26-17-9-3-10-18-26)27-19-11-4-12-20-27/h1-20,28,30,34,37H,21-23H2,(H,33,36)/t28-,30-/m1/s1
InChIKey GCVDXEKLVBWUGY-PQHLKRTFSA-N
Molecular Weight 525.601 g/mol
SMILES [C@](C(C=1C=CC=CC1)(C1=CC=CC=C1)O)(OC(C[C@](CNC(=O)OCC=1C=CC=CC1)(O)[H])=O)(C1=CC=CC=C1)[H]