465-21-4

蟾毒靈(465-21-4)紅外圖譜(IR1)

產(chǎn)品名稱(chēng):蟾毒靈

分子式:C24H34O4

分子量: 386.53

InChI:InChI=1/C24H34O4/c1-22-10-7-17(25)13-16(22)4-5-20-19(22)8-11-23(2)18(9-12-24(20,23)27)15-3-6-21(26)28-14-15/h3,6,14,16-20,25,27H,4-5,7-13H2,1-2H3/t16-,17+,18+,19+,20-,22+,23-,24-/s3

InChIKey: QEEBRPGZBVVINN-VVQMGREENA-N

Smiles:[C@@]12(O)CC[C@@H](C3=COC(=O)C=C3)[C@@]1(C)CC[C@]1([H])[C@@]3(C)CC[C@H](O)C[C@@]3([H])CC[C@@]21[H] |&1:0,4,12,16,18,22,25,29,r|

IR1

IR2

Mass

MS-IW-9601          
3beta,14-dihydroxy-5beta,14beta-bufa-20,22-dienolide
C24H34O4            (Mass of molecular ion:    386)

   Source Temperature: 200 °C
   Sample Temperature: 200 °C
   Direct, 75 eV

      15.0       1.4
      17.0      15.3
      18.0      75.7
      26.0       2.7
      27.0      11.4
      28.0      35.0
      29.0      19.6
      31.0       1.7
      38.0       1.2
      39.0      21.5
      40.0       4.6
      41.0      66.0
      42.0       3.5
      43.0      31.1
      44.0       8.3
      45.0       1.5
      50.0       2.9
      51.0       8.2
      52.0       5.4
      53.0      29.0
      54.0       7.4
      55.0      60.4
      56.0       3.6
      57.0       9.8
      58.0       1.3
      62.0       1.2
      63.0       3.5
      64.0       2.8
      65.0      21.6
      66.0      16.4
      67.0      56.7
      68.0       8.9
      69.0      27.7
      70.0       3.2
      71.0       4.4
      72.0       2.4
      75.0       2.0
      76.0       2.4
      77.0      49.0
      78.0      15.6
      79.0      84.7
      80.0      15.0
      81.0      67.1
      82.0      10.6
      82.5       1.2
      83.0      12.9
      84.0       6.0
      85.0      22.0
      86.0       2.6
      87.0       1.3
      88.0       1.8
      89.0       6.3
      89.5       1.1
      90.0       3.0
      91.0     100.0
      92.0      23.9
      93.0      79.4
      94.0      43.2
      94.5       1.5
      95.0      62.6
      96.0      10.4
      97.0      11.1
      98.0       4.5
      99.0       4.1
     100.0       1.8
     101.0       2.8
     102.0       4.4
     103.0       9.9
     104.0       8.5
     105.0      88.2
     105.5       1.0
     106.0      40.3
     106.5       1.7
     107.0      93.0
     107.5       1.4
     108.0      51.7
     109.0      65.5
     110.0      24.8
     111.0      10.8
     112.0       3.6
     112.5       1.1
     113.0       3.7
     113.5       1.2
     114.0       2.6
     114.5       1.2
     115.0      22.5
     116.0      10.4
     117.0      32.4
     118.0      28.8
     118.5       1.0
     119.0      55.6
     119.5       2.0
     120.0      33.5
     121.0      48.1
     122.0      64.4
     123.0      63.6
     124.0      14.1
     125.0       5.9
     126.0       4.4
     126.5       1.5
     127.0       7.8
     128.0      21.0
     129.0      27.1
     130.0      12.9
     131.0      48.4
     132.0      18.7
     132.5       1.6
     133.0      50.0
     134.0      27.3
     135.0      29.9
     136.0      27.1
     137.0      19.1
     138.0      18.1
     139.0       6.5
     139.5       1.1
     140.0       5.9
     140.5       1.0
     141.0      16.3
     142.0      13.9
     143.0      29.8
     144.0      19.2
     145.0      53.2
     146.0      20.5
     147.0      54.1
     148.0      18.0
     149.0      17.5
     150.0       6.0
     151.0       5.6
     152.0       7.2
     153.0       9.0
     154.0       6.9
     155.0      16.3
     156.0      12.9
     157.0      28.1
     158.0      19.1
     159.0      42.7
     160.0      31.4
     161.0      35.1
     162.0      20.2
     163.0      11.0
     164.0       5.6
     165.0      12.2
     166.0       7.0
     167.0      10.0
     168.0       5.8
     169.0      16.9
     170.0       9.8
     171.0      23.9
     172.0      13.7
     173.0      25.4
     174.0      21.9
     175.0      21.2
     176.0      11.1
     177.0       9.0
     178.0      12.3
     179.0       8.5
     180.0       6.0
     181.0      11.4
     182.0       6.8
     183.0      16.7
     184.0       8.3
     185.0      23.4
     186.0      10.9
     187.0      22.7
     188.0      35.0
     189.0      17.9
     190.0      11.4
     191.0      16.6
     192.0       6.6
     193.0       7.3
     194.0       5.5
     195.0      11.6
     196.0       7.8
     197.0      15.9
     198.0       8.8
     199.0      25.0
     200.0      13.0
     201.0      20.2
     202.0      10.6
     203.0      26.9
     204.0       7.7
     205.0       7.9
     206.0       5.3
     207.0      17.8
     208.0       5.4
     209.0      11.8
     210.0       6.7
     211.0      16.6
     212.0       9.0
     213.0      45.4
     214.0      79.4
     215.0      42.4
     216.0      21.0
     217.0       9.7
     218.0       3.9
     219.0       5.2
     220.0       2.8
     221.0       4.7
     222.0       3.2
     223.0       8.8
     224.0       5.8
     225.0      13.2
     226.0      10.6
     227.0      16.4
     228.0      26.9
     229.0      16.1
     230.0       9.4
     231.0      15.2
     232.0      23.1
     233.0       8.0
     234.0       3.2
     235.0       4.8
     236.0       3.2
     237.0       4.8
     238.0       4.5
     239.0       9.8
     240.0       8.2
     241.0      18.6
     242.0      12.4
     243.0      11.1
     244.0       5.8
     245.0       8.5
     246.0       8.1
     247.0       3.9
     248.0       3.3
     249.0       7.0
     250.0       9.5
     251.0       6.0
     252.0       5.6
     253.0       6.6
     254.0       7.9
     255.0       7.8
     256.0       6.6
     257.0       7.6
     258.0       3.8
     259.0       3.6
     260.0       1.8
     261.0       1.8
     262.0       1.2
     263.0       2.9
     264.0       1.6
     265.0       3.1
     266.0       2.0
     267.0       5.1
     268.0       4.8
     269.0       3.4
     270.0       2.2
     271.0       1.7
     272.0       1.2
     273.0       1.5
     274.0       1.0
     275.0       2.1
     276.0       1.5
     277.0       2.6
     278.0       2.6
     279.0       3.7
     280.0       2.5
     281.0       4.4
     282.0       2.5
     283.0       1.7
     284.0       1.1
     285.0       1.1
     289.0       2.6
     290.0       2.4
     291.0       3.1
     292.0       1.3
     293.0       3.6
     294.0       3.3
     295.0       6.9
     296.0      21.8
     297.0       5.8
     298.0       2.5
     299.0       1.7
     302.0       1.1
     303.0       1.2
     304.0       2.1
     305.0       2.5
     306.0       2.6
     307.0       6.5
     308.0       4.8
     309.0       4.3
     310.0       1.4
     311.0       1.1
     312.0       1.1
     314.0       1.6
     315.0       1.0
     316.0       1.1
     317.0       2.3
     321.0       3.6
     322.0       5.9
     323.0       2.4
     324.0       1.9
     325.0      31.4
     326.0       7.7
     327.0       1.6
     332.0       2.1
     333.0       1.6
     335.0      25.6
     336.0       7.0
     337.0       1.2
     340.0       1.5
     343.0       2.5
     348.0       1.7
     350.0      67.4
     351.0      19.3
     352.0       3.3
     353.0       3.2
     368.0      13.6
     369.0       4.2
     386.0       2.0

KBr disc