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1-OCTADECANOYL-2-(6-(4'-OCTYL-4-PHENYLBENZOYLOXY)-HEXANOYL)-SN-GLYCERO-3-PHOSPHO-(S)-GLYCEROL
SpectraBase Compound ID 385SXCnai0T
InChI InChI=1S/C51H83O12P.Na/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-21-24-28-49(54)60-41-48(42-62-64(57,58)61-40-47(53)39-52)63-50(55)29-25-22-26-38-59-51(56)46-36-34-45(35-37-46)44-32-30-43(31-33-44)27-23-20-10-8-6-4-2;/h30-37,47-48,52-53H,3-29,38-42H2,1-2H3,(H,57,58);/q;+1/p-1/t47-,48+;/m0./s1
InChIKey ZCALMVFKVUSKPA-OEVYEPBSSA-M
Mol Weight 941.2 g/mol
Molecular Formula C51H82NaO12P
Exact Mass 940.544159 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DpyDtXsAjWm
Name 1-OCTADECANOYL-2-(6-(4'-OCTYL-4-PHENYLBENZOYLOXY)-HEXANOYL)-SN-GLYCERO-3-PHOSPHO-(S)-GLYCEROL
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C51H82NaO12P
InChI InChI=1S/C51H83O12P.Na/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-21-24-28-49(54)60-41-48(42-62-64(57,58)61-40-47(53)39-52)63-50(55)29-25-22-26-38-59-51(56)46-36-34-45(35-37-46)44-32-30-43(31-33-44)27-23-20-10-8-6-4-2;/h30-37,47-48,52-53H,3-29,38-42H2,1-2H3,(H,57,58);/q;+1/p-1/t47-,48+;/m0./s1
InChIKey ZCALMVFKVUSKPA-OEVYEPBSSA-M
Literature Reference Author P.J.PEDERSEN,S.K.ADOLPH,A.K.SUBRAMANIAN,A.AROURI,T.L.ANDRESE N,O.G.MOURITSEN,R.MA
Literature Reference Citation J.MED.CHEM.,53,3782(2010)
Literature Reference DOI 10.1021/jm100190c
Solvent CDCl3:CD3OD=4:1
Source File Reference UWMZ46136