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(2R,3S,4R,5S)-1,3,4-Tribenzyloxy-5-(4-methoxyphenyl)methylamino-6-hepten-2-ol

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

(2R,3S,4R,5S)-1,3,4-Tribenzyloxy-5-(4-methoxyphenyl)methylamino-6-hepten-2-ol
SpectraBase Compound ID L6biJ02CW3E
InChI InChI=1S/C36H41NO5/c1-4-33(37(2)31-20-22-32(39-3)23-21-31)35(41-25-29-16-10-6-11-17-29)36(42-26-30-18-12-7-13-19-30)34(38)27-40-24-28-14-8-5-9-15-28/h4-23,33-36,38H,1,24-27H2,2-3H3/t33-,34+,35+,36-/m0/s1
InChIKey LXTZFANUBXPNSA-NZKHRDNMSA-N
Mol Weight 567.7 g/mol
Molecular Formula C36H41NO5
Exact Mass 567.298473 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5h3St48O8qc
Name (2R,3S,4R,5S)-1,3,4-Tribenzyloxy-5-(4-methoxyphenyl)methylamino-6-hepten-2-ol
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 567.298473419 u
Formula C36H41NO5
InChI InChI=1S/C36H41NO5/c1-4-33(37(2)31-20-22-32(39-3)23-21-31)35(41-25-29-16-10-6-11-17-29)36(42-26-30-18-12-7-13-19-30)34(38)27-40-24-28-14-8-5-9-15-28/h4-23,33-36,38H,1,24-27H2,2-3H3/t33-,34+,35+,36-/m0/s1
InChIKey LXTZFANUBXPNSA-NZKHRDNMSA-N
Molecular Weight 567.726 g/mol
SMILES [C@]([C@@](N(C=1C=CC(=CC1)OC)C)(C=C)[H])([C@@](OCC1=CC=CC=C1)([C@](O)(COCC=1C=CC=CC1)[H])[H])(OCC1=CC=CC=C1)[H]