1482-51-5

4,5-Α-二氫皮甾醇(1482-51-5)红外图谱(IR1)

分子式:C21H30O5

分子量: 362.46

InChI:InChI=1/C21H30O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h12,14-15,18,22,26H,3-11H2,1-2H3/t12-,14-,15-,18+,19-,20-,21-/s3

InChIKey: YCLWEYIBFOLMEM-QMXQDOMGNA-N

Smiles:[C@@]12([H])CC[C@](O)(C(=O)CO)[C@@]1(C)CC(=O)[C@]1([H])[C@@]3(C)CCC(=O)C[C@]3([H])CC[C@@]21[H] |&1:0,4,10,15,17,24,28,r|

IR1

IR2

Mass

MS-NW-6983          
17alpha,21-dihydroxy-5alpha-pregnane-3,11,20-trione
C21H30O5            (Mass of molecular ion:    362)

   Source Temperature: 210 °C
   Sample Temperature: 230 °C
   Direct, 75 eV

      14.0       1.2
      15.0       1.5
      17.0       1.2
      18.0       4.9
      27.0      11.2
      28.0       7.0
      29.0      22.5
      30.0      13.3
      31.0      17.6
      32.0       2.1
      39.0      14.3
      40.0       4.4
      41.0      54.6
      42.0      10.0
      43.0      34.2
      44.0       1.3
      45.0       2.2
      51.0       3.1
      52.0       2.0
      53.0      20.5
      54.0       4.3
      55.0      45.0
      56.0       3.5
      57.0       7.3
      58.0       1.3
      60.0       8.5
      65.0       9.5
      66.0       4.3
      67.0      35.3
      68.0      12.8
      69.0      19.4
      70.0       2.5
      71.0       5.2
      73.0       1.7
      77.0      21.0
      78.0       4.9
      79.0      37.3
      80.0       7.4
      81.0      33.4
      82.0       8.6
      83.0       9.9
      84.0       3.2
      85.0       2.9
      86.0       2.1
      87.0       1.8
      91.0      28.8
      92.0       6.0
      93.0      34.1
      94.0      10.6
      95.0      28.1
      96.0      10.3
      97.0      21.3
      98.0       3.7
      99.0       3.6
     100.0       1.0
     101.0       1.0
     103.0       4.6
     104.0       3.4
     105.0      22.5
     106.0       7.1
     107.0      29.4
     108.0       9.8
     109.0      30.8
     110.0      16.8
     111.0      12.3
     112.0       2.1
     113.0       1.6
     115.0       3.4
     116.0       2.3
     117.0       6.0
     118.0       3.0
     119.0      15.2
     120.0       6.5
     121.0      31.5
     122.0      23.8
     123.0      22.3
     124.0      41.5
     125.0      16.5
     126.0       2.7
     127.0       1.7
     128.0       2.1
     129.0       3.6
     130.0       1.8
     131.0       8.1
     132.0       3.0
     133.0      11.4
     134.0       6.7
     135.0      20.4
     136.0      19.2
     137.0      17.0
     138.0       7.3
     139.0       6.0
     140.0       2.2
     141.0       1.9
     142.0       1.2
     143.0       4.2
     144.0       2.2
     145.0      12.6
     146.0       4.1
     147.0      14.1
     148.0       6.1
     149.0      17.7
     150.0       6.9
     151.0       5.7
     152.0       2.1
     153.0       1.7
     155.0       1.7
     157.0       4.7
     158.0       2.2
     159.0       8.0
     160.0       4.2
     161.0      12.0
     162.0       5.8
     163.0      19.7
     164.0       4.5
     165.0       7.2
     166.0       2.1
     167.0       6.8
     168.0       1.2
     169.0       2.2
     170.0       1.1
     171.0       4.4
     172.0       2.9
     173.0       7.8
     174.0       3.4
     175.0       8.2
     176.0       3.5
     177.0       4.3
     178.0       3.3
     179.0       5.0
     180.0       3.2
     181.0       1.9
     183.0       2.1
     184.0       1.5
     185.0       4.6
     186.0       2.2
     187.0       5.1
     188.0       3.7
     189.0       6.1
     190.0       3.0
     191.0      14.0
     192.0       4.6
     193.0       3.4
     194.0       1.0
     195.0       2.0
     197.0       2.3
     199.0       4.4
     200.0       2.2
     201.0       4.0
     202.0       2.8
     203.0       4.9
     204.0       2.9
     205.0       2.4
     206.0       1.5
     207.0       1.5
     208.0       1.2
     209.0       2.6
     211.0       2.1
     212.0       1.0
     213.0       3.9
     214.0       1.5
     215.0       4.0
     216.0       2.0
     217.0       3.8
     218.0       3.3
     219.0       2.0
     220.0       1.1
     221.0       1.7
     223.0       1.6
     225.0       2.7
     226.0       1.1
     227.0       6.6
     228.0       2.3
     229.0       4.5
     230.0       2.4
     231.0       6.3
     232.0       3.8
     233.0       4.0
     234.0       1.1
     235.0       1.1
     239.0       1.8
     240.0       2.4
     241.0       5.4
     242.0       2.9
     243.0       6.7
     244.0       3.9
     245.0      14.8
     246.0      28.5
     247.0       6.8
     248.0       1.8
     249.0       1.1
     251.0       1.0
     253.0       1.0
     255.0       1.5
     256.0       2.5
     257.0      18.8
     258.0      11.7
     259.0     100.0
     260.0      28.9
     261.0       8.2
     262.0       1.8
     265.0       1.1
     267.0       2.8
     268.0       1.3
     269.0       2.7
     270.0       2.0
     271.0       2.4
     272.0       1.2
     273.0       1.7
     274.0       7.9
     275.0       3.8
     276.0       1.5
     281.0       1.0
     283.0       2.9
     284.0       3.2
     285.0       7.7
     286.0       4.1
     287.0       6.0
     288.0       4.8
     289.0       2.6
     296.0       1.3
     299.0       2.2
     301.0       3.2
     302.0      34.5
     303.0      34.7
     304.0       9.9
     305.0       2.1
     313.0       1.6
     314.0       4.2
     315.0      12.6
     316.0       4.9
     317.0       6.7
     318.0       1.5
     326.0       1.1
     329.0       2.0
     330.0       4.9
     331.0       1.4
     332.0      46.4
     333.0      10.9
     334.0       2.7
     344.0       6.5
     345.0       1.7
     347.0       1.0
     362.0      28.9
     363.0       7.3
     364.0       1.4

KBr disc