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1-OCTADECYL-2-(6-(4'-OCTYL-4-PHENYLBENZOYLOXY)-HEXANOYL)-SN-GLYCERO-3-PHOSPHO-(S)-GLYCEROL

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1-OCTADECYL-2-(6-(4'-OCTYL-4-PHENYLBENZOYLOXY)-HEXANOYL)-SN-GLYCERO-3-PHOSPHO-(S)-GLYCEROL
SpectraBase Compound ID 7aNlL3gwe9g
InChI InChI=1S/C51H85O11P.Na/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-22-26-38-58-42-49(43-61-63(56,57)60-41-48(53)40-52)62-50(54)29-25-23-27-39-59-51(55)47-36-34-46(35-37-47)45-32-30-44(31-33-45)28-24-21-10-8-6-4-2;/h30-37,48-49,52-53H,3-29,38-43H2,1-2H3,(H,56,57);/q;+1/p-1/t48-,49+;/m0./s1
InChIKey QILFRQRXHSFRFB-QAEITKBDSA-M
Mol Weight 927.2 g/mol
Molecular Formula C51H84NaO11P
Exact Mass 926.564895 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID B8OuqU7jBD3
Name 1-OCTADECYL-2-(6-(4'-OCTYL-4-PHENYLBENZOYLOXY)-HEXANOYL)-SN-GLYCERO-3-PHOSPHO-(S)-GLYCEROL
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C51H84NaO11P
InChI InChI=1S/C51H85O11P.Na/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-22-26-38-58-42-49(43-61-63(56,57)60-41-48(53)40-52)62-50(54)29-25-23-27-39-59-51(55)47-36-34-46(35-37-47)45-32-30-44(31-33-45)28-24-21-10-8-6-4-2;/h30-37,48-49,52-53H,3-29,38-43H2,1-2H3,(H,56,57);/q;+1/p-1/t48-,49+;/m0./s1
InChIKey QILFRQRXHSFRFB-QAEITKBDSA-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 UWMZ46135