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#9;HEXADECANOIC-ACID-[(2R,3R)-1-[BENZYLOXY-(2-BENZYLOXYCARBONYLAMINOETHOXY)-PHOSPHORYLOXYMETHYL]-3-(BENZYLOXYDIISOPROPYLAMINOPHOSPHANYLOXY)-2-HEXADECANOYLOXY]-
SpectraBase Compound ID S8kCVIkJzc
InChI InChI=1S/C66H108N2O12P2/c1-7-9-11-13-15-17-19-21-23-25-27-29-40-48-64(69)79-62(55-75-81(68(57(3)4)58(5)6)74-53-60-44-36-32-37-45-60)63(80-65(70)49-41-30-28-26-24-22-20-18-16-14-12-10-8-2)56-78-82(72,77-54-61-46-38-33-39-47-61)76-51-50-67-66(71)73-52-59-42-34-31-35-43-59/h31-39,42-47,57-58,62-63H,7-30,40-41,48-56H2,1-6H3,(H,67,71)/t62-,63+,81?,82?/m1/s1
InChIKey YODDKAYVWPCCKV-BCQCASTESA-N
Mol Weight 1183.5 g/mol
Molecular Formula C66H108N2O12P2
Exact Mass 1182.737751 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID J0mcofLXtTW
Name #9;HEXADECANOIC-ACID-[(2R,3R)-1-[BENZYLOXY-(2-BENZYLOXYCARBONYLAMINOETHOXY)-PHOSPHORYLOXYMETHYL]-3-(BENZYLOXYDIISOPROPYLAMINOPHOSPHANYLOXY)-2-HEXADECANOYLOXY]-
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C66H108N2O12P2
InChI InChI=1S/C66H108N2O12P2/c1-7-9-11-13-15-17-19-21-23-25-27-29-40-48-64(69)79-62(55-75-81(68(57(3)4)58(5)6)74-53-60-44-36-32-37-45-60)63(80-65(70)49-41-30-28-26-24-22-20-18-16-14-12-10-8-2)56-78-82(72,77-54-61-46-38-33-39-47-61)76-51-50-67-66(71)73-52-59-42-34-31-35-43-59/h31-39,42-47,57-58,62-63H,7-30,40-41,48-56H2,1-6H3,(H,67,71)/t62-,63+,81?,82?/m1/s1
InChIKey YODDKAYVWPCCKV-BCQCASTESA-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
Molecular Weight 1183.537 g/mol
Solvent CDCl3
Source File Reference UWSI21897