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#7;HEXADECANOIC-ACID-[(2R,3R)-3-[BENZYLOXY-(2-BENZYLOXYCARBONYLAMINOETHOXY)-PHOSPHORYLOXY]-2-HEXADECANOYLOXY-1-(4'-METHOXYBENZYLOXYMETHYL)]-PROPYLESTER
SpectraBase Compound ID BRAhypXWULh
InChI InChI=1S/C61H96NO12P/c1-4-6-8-10-12-14-16-18-20-22-24-26-34-40-59(63)73-57(51-68-48-55-42-44-56(67-3)45-43-55)58(74-60(64)41-35-27-25-23-21-19-17-15-13-11-9-7-5-2)52-72-75(66,71-50-54-38-32-29-33-39-54)70-47-46-62-61(65)69-49-53-36-30-28-31-37-53/h28-33,36-39,42-45,57-58H,4-27,34-35,40-41,46-52H2,1-3H3,(H,62,65)/t57-,58-,75?/m1/s1
InChIKey SMSFABYPNJSOOM-WBKHYHSCSA-N
Mol Weight 1066.4 g/mol
Molecular Formula C61H96NO12P
Exact Mass 1065.667015 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JliXhdKj2aE
Name #7;HEXADECANOIC-ACID-[(2R,3R)-3-[BENZYLOXY-(2-BENZYLOXYCARBONYLAMINOETHOXY)-PHOSPHORYLOXY]-2-HEXADECANOYLOXY-1-(4'-METHOXYBENZYLOXYMETHYL)]-PROPYLESTER
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C61H96NO12P
InChI InChI=1S/C61H96NO12P/c1-4-6-8-10-12-14-16-18-20-22-24-26-34-40-59(63)73-57(51-68-48-55-42-44-56(67-3)45-43-55)58(74-60(64)41-35-27-25-23-21-19-17-15-13-11-9-7-5-2)52-72-75(66,71-50-54-38-32-29-33-39-54)70-47-46-62-61(65)69-49-53-36-30-28-31-37-53/h28-33,36-39,42-45,57-58H,4-27,34-35,40-41,46-52H2,1-3H3,(H,62,65)/t57-,58-,75?/m1/s1
InChIKey SMSFABYPNJSOOM-WBKHYHSCSA-N
Literature Reference Author P.W.RZEPECKI,G.D.PRESTWICH
Literature Reference Citation J.ORG.CHEM.,67,5454(2002)
Literature Reference DOI 10.1021/jo011185a
Solvent CDCl3
Source File Reference UWSI21950