1,2-DIPALMITOYL-SN-GLYCERO-3-PHOSPHOCHOLINE(63-89-8) ¹H NMR

Product Name1,2-DIPALMITOYL-SN-GLYCERO-3-PHOSPHOCHOLINE

Molecular FormulaC40H80NO8P

Molecular Weight734.04

InChIInChI=1/C40H80NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-39(42)46-36-38(37-48-50(44,45)47-35-34-41(3,4)5)49-40(43)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h38H,6-37H2,1-5H3/t38-/s3

InChIKey KILNVBDSWZSGLL-PYSDWNRJNA-N

Smiles[C@@H](OC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C |&1:0,r|

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¹HNMR

¹³CNMR

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₄₀ H₈₀ N O₈ P	0.041 g : 0.5 ml CDCl₃
L-alpha-dipalmitoylphosphatidylcholine

    Assign.     Shift(ppm)

      A             5.20
      B     *1      4.399
      C             4.31
      D     *1      4.127
      E             3.94
      F             3.83
      G             3.390
      J     *2      2.292
      K     *2      2.272
      L             1.58
      M             1.26
      N             0.879
     
     ASSIGNED BY H-H COSY.
     J(B,D)=-12.1HZ
     J(B,A)=2.9HZ
     J(D,A)=7.3HZ

     Hz     ppm     Int.

   1528.69   3.826     22
   1528.32   3.825     22
   1354.86   3.391    292
    923.22   2.311     24
    916.14   2.293     59
    908.33   2.273     61
    901.12   2.255     30
    636.23   1.592     22
    635.86   1.592     21
    629.64   1.576     29
    625.37   1.565     23
    519.17   1.300     58
    501.71   1.256   1000
    358.28   0.897     70
    351.68   0.880    219
    344.60   0.863     84

in CDCl3