For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

(E)-(4S,5R)-1-Benzylamino-1,2,3-trideoxy-2-formyl-5-hydroxy-4,6-di-o-benzyl-hex-1-ene

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

(E)-(4S,5R)-1-Benzylamino-1,2,3-trideoxy-2-formyl-5-hydroxy-4,6-di-o-benzyl-hex-1-ene
SpectraBase Compound ID 3nZxHVbTimf
InChI InChI=1S/C28H31NO4/c30-19-26(18-29-17-23-10-4-1-5-11-23)16-28(33-21-25-14-8-3-9-15-25)27(31)22-32-20-24-12-6-2-7-13-24/h1-15,18-19,27-29,31H,16-17,20-22H2/b26-18+/t27-,28+/m1/s1
InChIKey MNUIAIBZWNQZQE-DWNXSYMCSA-N
Mol Weight 445.56 g/mol
Molecular Formula C28H31NO4
Exact Mass 445.225308 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

Subscribe to view the full spectrum.

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 60KRICxhAcg
Name (E)-(4S,5R)-1-Benzylamino-1,2,3-trideoxy-2-formyl-5-hydroxy-4,6-di-o-benzyl-hex-1-ene
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 445.225308478 u
Formula C28H31NO4
InChI InChI=1S/C28H31NO4/c30-19-26(18-29-17-23-10-4-1-5-11-23)16-28(33-21-25-14-8-3-9-15-25)27(31)22-32-20-24-12-6-2-7-13-24/h1-15,18-19,27-29,31H,16-17,20-22H2/b26-18+/t27-,28+/m1/s1
InChIKey MNUIAIBZWNQZQE-DWNXSYMCSA-N
Molecular Weight 445.559 g/mol
SMILES C(\C(=C/NCC1=CC=CC=C1)C=O)[C@](OCC1=CC=CC=C1)([C@](O)(COCC=1C=CC=CC1)[H])[H]