6145-69-3

鲛肝醇(6145-69-3)核磁图(¹³CNMR)

产品名称:鲛肝醇

CAS:6145-69-3

分子式:C19H40O3

分子量: 316.52

InChI:InChI=1S/C19H40O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-22-18-19(21)17-20/h19-21H,2-18H2,1H3

InChIKey: OOWQBDFWEXAXPB-UHFFFAOYSA-N

Smiles:C(O)C(O)COCCCCCCCCCCCCCCCC

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₉ H₄₀ O₃	0.032 g : 0.5 ml CDCl₃
DL-3-hexadecyloxy-1,2-propanediol

    Assign.     Shift(ppm)

      A             3.87
      B     *1      3.712
      C     *1      3.645
      D     *2      3.53
      E     *2      3.50
      F     *3      3.47
      G     *3      3.46
      J     *4      2.8
      K     *4      2.5
      L             1.58
      M             1.30
      N             1.26
      P             0.881
     
     J(B,C)=-11.5HZ
     J(B,A)=3.8HZ
     J(C,A)=5.4HZ
     J(D,E)=-9.8HZ
     J(D,A)=4.0HZ
     J(E,A)=6.1HZ
     J(F,G)=-9.4HZ
     J(G,L)=J(F,L)=6.7HZ

     Hz     ppm     Int.

   1463.26   3.662     34
   1457.89   3.648     30
   1408.57   3.525     65
   1404.54   3.515     66
   1403.32   3.512     76
   1397.22   3.497     63
   1392.46   3.485     34
   1389.89   3.478     33
   1387.45   3.472     30
   1385.74   3.468     62
   1383.30   3.462     60
   1379.15   3.451     32
   1376.59   3.445     31
    630.13   1.577     31
    526.73   1.318     53
    526.00   1.317     52
    514.77   1.289    111
    502.32   1.257   1000
    492.19   1.232     33
    490.23   1.227     36
    358.76   0.898     56
    352.05   0.881    167
    344.97   0.864     64

in CDCl3