50-03-3

醋酸氢化可的松(50-03-3)红外图谱(IR1)

分子式:C23H32O6

分子量: 404.5

InChI:InChI=1/C23H32O6/c1-13(24)29-12-19(27)23(28)9-7-17-16-5-4-14-10-15(25)6-8-21(14,2)20(16)18(26)11-22(17,23)3/h10,16-18,20,26,28H,4-9,11-12H2,1-3H3/t16-,17-,18-,20+,21-,22-,23-/s3

InChIKey: ALEXXDVDDISNDU-HEJVTJMQNA-N

Smiles:C[C@]12C[C@H](O)[C@]3([H])[C@]4(CCC(=O)C=C4CC[C@@]3([H])[C@]1([H])CC[C@]2(O)C(=O)COC(=O)C)C |&1:1,3,5,7,16,18,22,r|

IR1

IR2

Mass

MS-NW-2340          
cortisol acetate
C23H32O6            (Mass of molecular ion:    404)

   Source Temperature: 250 °C
   Sample Temperature: 180 °C
   Direct, 75 eV

      14.0       3.6
      15.0       6.4
      17.0       3.9
      18.0      18.5
      27.0       6.5
      28.0      10.1
      29.0      12.8
      30.0       9.2
      31.0       3.4
      39.0       8.8
      40.0       2.2
      41.0      25.0
      42.0       9.6
      43.0     100.0
      44.0       2.9
      45.0       8.1
      51.0       2.7
      52.0       1.7
      53.0      10.2
      54.0       1.7
      55.0      19.5
      56.0       1.8
      57.0       4.8
      60.0       6.9
      63.0       1.1
      65.0       6.2
      66.0       2.6
      67.0      13.4
      68.0       2.7
      69.0       7.9
      70.0       2.4
      71.0       3.7
      73.0       3.0
      74.0       1.4
      77.0      15.8
      78.0       4.4
      79.0      20.6
      80.0       3.8
      81.0      12.9
      82.0       2.5
      83.0       6.5
      84.0       1.7
      85.0       2.2
      87.0       3.1
      89.0       1.0
      91.0      25.5
      92.0       4.6
      93.0      16.0
      94.0       5.3
      95.0      14.7
      96.0       4.3
      97.0      11.3
      98.0       1.9
      99.0       2.7
     101.0       1.6
     102.0       1.1
     103.0       3.9
     104.0       2.2
     105.0      21.7
     106.0       6.8
     107.0      16.2
     108.0       6.5
     109.0      15.5
     110.0       6.6
     111.0       5.9
     112.0       1.2
     113.0       1.0
     115.0       5.6
     116.0       3.0
     117.0       8.4
     118.0       4.4
     119.0      21.6
     120.0       7.8
     121.0      23.0
     122.0      21.0
     123.0      38.5
     124.0      30.5
     125.0       7.7
     126.0       1.5
     127.0       2.3
     128.0       4.5
     129.0       8.1
     130.0       3.6
     131.0      12.9
     132.0       5.3
     133.0      13.7
     134.0       8.1
     135.0      11.1
     136.0      15.1
     137.0      17.5
     138.0       5.5
     139.0       2.1
     141.0       3.9
     142.0       3.5
     143.0      10.4
     144.0       5.8
     145.0      12.9
     146.0       6.0
     147.0      14.5
     148.0      11.2
     149.0      10.6
     150.0       3.5
     151.0       2.3
     152.0       2.1
     153.0       2.2
     154.0       1.3
     155.0       5.5
     156.0       4.2
     157.0       9.0
     158.0       4.6
     159.0      11.6
     160.0       6.9
     161.0      15.9
     162.0       8.2
     163.0      20.3
     164.0       4.0
     165.0       2.9
     166.0       1.7
     167.0       2.2
     168.0       1.5
     169.0       5.2
     170.0       3.0
     171.0       7.5
     172.0       5.9
     173.0      11.7
     174.0       8.0
     175.0       9.2
     176.0       4.5
     177.0       3.9
     178.0       1.9
     179.0       2.2
     180.0       1.0
     181.0       2.6
     182.0       1.8
     183.0       4.9
     184.0       3.6
     185.0       7.9
     186.0       5.0
     187.0       7.8
     188.0       5.0
     189.0       7.6
     190.0       3.1
     191.0       4.2
     192.0       2.5
     193.0       2.5
     194.0       1.3
     195.0       3.0
     196.0       1.9
     197.0       5.2
     198.0       4.7
     199.0       7.3
     200.0       4.5
     201.0       4.1
     202.0       3.1
     203.0       4.4
     204.0       2.5
     205.0       2.5
     206.0       1.3
     207.0       3.0
     208.0       1.6
     209.0       5.5
     210.0       2.3
     211.0       6.5
     212.0       4.1
     213.0       7.4
     214.0       4.4
     215.0       6.1
     216.0       2.4
     217.0       2.1
     218.0       1.0
     219.0       1.2
     221.0       2.0
     222.0       2.1
     223.0       4.1
     224.0       2.7
     225.0      14.7
     226.0       4.5
     227.0      19.2
     228.0       6.5
     229.0       6.3
     230.0       3.1
     231.0       2.1
     232.0       1.3
     233.0       1.3
     234.0       1.0
     235.0       1.8
     236.0       1.1
     237.0       2.4
     238.0       2.5
     239.0       5.2
     240.0      16.5
     241.0       9.6
     242.0      11.9
     243.0       6.3
     244.0       2.1
     245.0       3.0
     246.0       1.6
     247.0       2.5
     248.0       1.1
     249.0       1.9
     250.0       1.6
     251.0       3.0
     252.0       1.9
     253.0       4.6
     254.0       2.3
     255.0       3.7
     256.0       4.5
     257.0       3.0
     258.0       4.3
     259.0       2.5
     260.0       3.7
     261.0       2.6
     262.0       1.1
     263.0       1.7
     265.0       3.8
     266.0       2.4
     267.0       7.6
     268.0       4.2
     269.0       3.6
     270.0       2.5
     271.0       2.6
     272.0       1.5
     273.0       2.0
     274.0      11.6
     275.0       3.1
     276.0       1.7
     277.0       1.1
     278.0       2.1
     279.0       1.6
     280.0       2.1
     281.0       3.2
     282.0       2.0
     283.0       5.0
     284.0       3.5
     285.0      13.8
     286.0       4.8
     287.0       1.5
     288.0       1.9
     290.0       1.0
     293.0       3.1
     294.0       1.4
     295.0       2.7
     296.0       4.1
     297.0       2.2
     298.0       4.7
     299.0       3.9
     300.0       1.5
     301.0       2.3
     302.0       2.6
     303.0       4.2
     304.0       1.4
     308.0       3.5
     309.0       1.3
     310.0       2.4
     311.0       6.6
     312.0       2.4
     313.0       2.1
     314.0       4.9
     315.0       2.1
     316.0       3.2
     317.0       1.0
     326.0       9.1
     327.0       2.6
     328.0       3.0
     329.0       2.9
     330.0       1.5
     332.0       6.2
     333.0       1.6
     344.0       7.0
     345.0       2.0
     356.0       2.2
     374.0       3.4
     404.0       3.6

KBr disc