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(2R,3R,4R)-1,3,4-Tribenzyloxy-2-(p-methoxybenzyloxy)octadecane
SpectraBase Compound ID AroQw7qpM1f
InChI InChI=1S/C47H64O5/c1-3-4-5-6-7-8-9-10-11-12-13-23-30-45(50-36-41-26-19-15-20-27-41)47(52-38-42-28-21-16-22-29-42)46(39-49-35-40-24-17-14-18-25-40)51-37-43-31-33-44(48-2)34-32-43/h14-22,24-29,31-34,45-47H,3-13,23,30,35-39H2,1-2H3/t45-,46-,47-/m1/s1
InChIKey ITKPUXKJYFZXJZ-IUAJQGRFSA-N
Mol Weight 709.0 g/mol
Molecular Formula C47H64O5
Exact Mass 708.475375 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GW68XTuicaz
Name (2R,3R,4R)-1,3,4-Tribenzyloxy-2-(p-methoxybenzyloxy)octadecane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C47H64O5
InChI InChI=1S/C47H64O5/c1-3-4-5-6-7-8-9-10-11-12-13-23-30-45(50-36-41-26-19-15-20-27-41)47(52-38-42-28-21-16-22-29-42)46(39-49-35-40-24-17-14-18-25-40)51-37-43-31-33-44(48-2)34-32-43/h14-22,24-29,31-34,45-47H,3-13,23,30,35-39H2,1-2H3/t45-,46-,47-/m1/s1
InChIKey ITKPUXKJYFZXJZ-IUAJQGRFSA-N
Molecular Weight 709.024 g/mol
SMILES [C@@](OCc1ccccc1)([C@](OCc1ccc(cc1)OC)(COCc1ccccc1)[H])([C@](OCc1ccccc1)(CCCCCCCCCCCCCC)[H])[H]
SPLASH splash10-006x-6921000000-f01f81b57ffe105c64dc
Source of Spectrum KC-0-2856-25
Wiley ID 782445