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(2R)-1-o-Triyl-2-[(1S)-1,2-bis(benzyloxy)ethyl]-4-pentene-1,2-diol

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(2R)-1-o-Triyl-2-[(1S)-1,2-bis(benzyloxy)ethyl]-4-pentene-1,2-diol
SpectraBase Compound ID 3RmdkiPz59a
InChI InChI=1S/C40H40O4/c1-2-28-39(41,38(43-30-34-20-10-4-11-21-34)31-42-29-33-18-8-3-9-19-33)32-44-40(35-22-12-5-13-23-35,36-24-14-6-15-25-36)37-26-16-7-17-27-37/h2-27,38,41H,1,28-32H2/t38-,39+/m0/s1
InChIKey YNNMOVIGQDDDSZ-ZESVVUHVSA-N
Mol Weight 584.8 g/mol
Molecular Formula C40H40O4
Exact Mass 584.29266 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9riiSEYlZCa
Name (2R)-1-o-Triyl-2-[(1S)-1,2-bis(benzyloxy)ethyl]-4-pentene-1,2-diol
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 584.292659764 u
Formula C40H40O4
InChI InChI=1S/C40H40O4/c1-2-28-39(41,38(43-30-34-20-10-4-11-21-34)31-42-29-33-18-8-3-9-19-33)32-44-40(35-22-12-5-13-23-35,36-24-14-6-15-25-36)37-26-16-7-17-27-37/h2-27,38,41H,1,28-32H2/t38-,39+/m0/s1
InChIKey YNNMOVIGQDDDSZ-ZESVVUHVSA-N
Molecular Weight 584.756 g/mol
SMILES C(OC[C@]([C@@](OCC=1C=CC=CC1)(COCC=1C=CC=CC1)[H])(O)CC=C)(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1