458-37-7

姜黄素(458-37-7)红外图谱(IR2)

分子式:C21H20O6

分子量: 368.38

InChI:InChI=1S/C21H20O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h3-12,24-25H,13H2,1-2H3/b7-3+,8-4+

InChIKey: VFLDPWHFBUODDF-FCXRPNKRSA-N

Smiles:C1(/C=C/C(=O)CC(=O)/C=C/C2C=CC(O)=C(OC)C=2)C=CC(O)=C(OC)C=1

Mass

MS-NW-0387          
trans,trans-1,7-bis(4-hydroxy-3-methoxyphenyl)-1,6-heptadiene-3,5-dione
C21H20O6            (Mass of molecular ion:    368)

   Source Temperature: 170 °C
   Sample Temperature: 270 °C
   Direct, 75 eV

      15.0       1.3
      18.0       1.7
      27.0       1.4
      28.0       2.6
      39.0       5.5
      41.0       1.9
      43.0       1.8
      50.0       2.3
      51.0       7.5
      52.0       4.6
      53.0       2.9
      54.0       1.0
      55.0       4.1
      62.0       1.6
      63.0       5.6
      64.0       1.9
      65.0       6.5
      66.0       1.0
      67.0       1.0
      69.0       5.8
      75.0       1.5
      76.0       2.1
      77.0      12.2
      78.0       9.1
      79.0       2.9
      81.0       1.1
      88.0       1.1
      89.0      16.1
      90.0       3.0
      91.0      10.0
      92.0       1.5
      94.0       1.5
      95.0       1.1
     101.0       1.9
     102.0       3.1
     103.0       7.8
     104.0       1.5
     105.0       5.6
     106.0       4.6
     107.0       7.2
     108.0       1.4
     109.0       1.7
     110.0       2.0
     115.0       3.7
     116.0       1.0
     117.0      15.7
     118.0       5.7
     119.0       6.1
     120.0       3.3
     121.0       1.5
     122.0       1.7
     123.0       1.4
     124.0       3.7
     127.0       1.2
     128.0       1.0
     130.0       2.7
     131.0      17.4
     132.0       3.8
     133.0       4.5
     134.0       8.6
     135.0      13.0
     136.0       5.2
     137.0      38.8
     138.0       5.3
     139.0       3.8
     140.0       1.1
     143.0       3.0
     144.0       1.7
     145.0      32.3
     146.0       7.4
     147.0      18.0
     148.0       6.6
     149.0      12.4
     150.0      28.3
     151.0       6.0
     152.0       1.3
     154.0       1.9
     155.0       1.0
     159.0       6.4
     160.0       5.3
     161.0       6.3
     162.0       3.8
     163.0       6.2
     164.0       7.0
     165.0       1.7
     168.0       2.3
     169.0       1.1
     170.0       1.6
     171.0       1.1
     173.0       2.2
     174.0       5.5
     175.0      10.7
     176.0       8.6
     177.0     100.0
     178.0      15.1
     179.0       3.4
     184.0       1.9
     185.0       1.0
     187.0       1.7
     188.0       1.2
     189.0       2.1
     190.0      41.4
     191.0      33.2
     192.0       6.1
     193.0       1.2
     201.0       2.8
     202.0       3.3
     203.0       4.8
     204.0       3.7
     205.0       1.2
     206.0       1.3
     207.0       1.1
     211.0       1.2
     213.0       1.1
     214.0       1.5
     215.0       1.1
     216.0       1.8
     217.0      15.6
     218.0       4.7
     219.0       3.3
     226.0       4.7
     227.0       2.6
     230.0       1.3
     231.0       3.9
     232.0      14.0
     233.0       2.5
     242.0       1.9
     243.0       1.0
     244.0       6.8
     245.0       2.6
     259.0       1.5
     270.0       3.2
     271.0       2.5
     272.0      15.7
     273.0       2.9
     298.0       2.4
     307.0       1.5
     319.0       2.6
     320.0       4.8
     321.0       2.0
     322.0       2.3
     325.0       1.0
     326.0       1.6
     333.0       1.8
     335.0       4.1
     336.0       1.4
     337.0       1.1
     338.0       4.3
     339.0       2.1
     340.0       2.0
     349.0       4.8
     350.0      34.1
     351.0      10.7
     352.0       2.3
     367.0       1.7
     368.0      36.9
     369.0       8.7
     370.0       2.1

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₂₁ H₂₀ O₆	0.039 g : 0.5 ml DMSO-d₆
trans,trans-1,7-bis(4-hydroxy-3-methoxyphenyl)-1,6-heptadiene-3,5-dione

    Assign.     Shift(ppm)

      A            16.5
      B             9.70
      C             7.578
      D             7.345
      E             7.172
      F             6.852
      G             6.779
      J             6.075
      K             3.859

     Hz     ppm     Int.

   3875.24   9.697    194
   3036.62   7.599    153
   3021.00   7.560    159
   2936.52   7.348    171
   2934.81   7.344    170
   2871.83   7.186     79
   2870.12   7.182     86
   2863.53   7.166     94
   2861.82   7.161     99
   2742.68   6.863    215
   2734.62   6.843    207
   2717.04   6.799    152
   2701.17   6.759    138
   2427.98   6.076    139
   1542.72   3.861   1000

in DMSO-d6