470-37-1

蟾酥(470-37-1)红外图谱(IR2)

产品名称:蟾酥

分子式:C26H34O6

分子量: 442.55

InChI:InChI=1/C26H34O6/c1-14(27)31-22-21(15-4-7-20(29)30-13-15)25(3)11-9-18-19(26(25)23(22)32-26)6-5-16-12-17(28)8-10-24(16,18)2/h4,7,13,16-19,21-23,28H,5-6,8-12H2,1-3H3/t16-,17+,18+,19-,21+,22-,23-,24+,25-,26-/s3

InChIKey: SCULJPGYOQQXTK-QZXYOKJUNA-N

Smiles:C[C@]12CC[C@]3([H])[C@]4(CC[C@H](O)C[C@@]4([H])CC[C@@]3([H])[C@@]31O[C@@H]3[C@H](OC(=O)C)[C@@H]2C1=COC(=O)C=C1)C |&1:1,4,6,9,12,16,18,20,21,26,r|

IR1

IR2

Mass

MS-IW-3187          
16beta-acetoxy-14,15beta-epoxy-3beta-hydroxy-5beta,14beta-bufa-20,22-dienolide
C26H34O6            (Mass of molecular ion:    442)

   Source Temperature: 180 °C
   Sample Temperature: 200 °C
   Direct, 75 eV

      15.0       1.2
      27.0       2.7
      28.0       3.3
      29.0       7.4
      31.0       1.2
      39.0       4.9
      41.0      25.7
      42.0       1.9
      43.0      87.2
      44.0       4.6
      45.0       1.9
      51.0       2.3
      52.0       1.3
      53.0      11.8
      54.0       2.1
      55.0      33.3
      56.0       1.9
      57.0       7.6
      60.0       1.2
      65.0       7.4
      66.0       2.9
      67.0      28.0
      68.0       3.8
      69.0      14.6
      70.0       1.6
      71.0       5.3
      77.0      20.1
      78.0       5.8
      79.0      34.2
      80.0       6.5
      81.0      41.9
      82.0       6.8
      83.0       8.1
      84.0       1.5
      85.0       2.8
      91.0      38.6
      92.0       7.8
      93.0      38.5
      94.0       9.6
      95.0      47.4
      96.0       6.1
      97.0       7.2
      98.0       1.0
      99.0       1.0
     103.0       3.7
     104.0       2.7
     105.0      44.8
     106.0      16.0
     107.0      74.1
     108.0      33.5
     109.0      34.2
     110.0       9.7
     111.0       5.6
     112.0       1.2
     115.0       5.7
     116.0       2.9
     117.0      11.2
     118.0       6.1
     119.0      24.9
     120.0      11.8
     121.0      35.4
     122.0      10.0
     123.0      13.9
     124.0      11.0
     125.0       8.7
     126.0       2.0
     127.0       1.9
     128.0       5.3
     129.0       8.7
     130.0       4.9
     131.0      20.8
     132.0       7.6
     133.0      25.3
     134.0      12.3
     135.0      17.6
     136.0       4.9
     137.0       7.3
     138.0      10.6
     139.0       4.3
     140.0       1.0
     141.0       4.1
     142.0       3.6
     143.0      10.1
     144.0       6.5
     145.0      24.5
     146.0       9.7
     147.0      28.6
     148.0      11.4
     149.0      15.5
     150.0       5.6
     151.0      84.6
     152.0      13.0
     153.0       4.2
     154.0       2.1
     155.0       5.0
     156.0       3.4
     157.0      11.8
     158.0       9.3
     159.0      23.7
     160.0      16.1
     161.0      25.8
     162.0       9.0
     163.0       7.1
     164.0       2.9
     165.0       7.0
     166.0       3.1
     167.0       6.6
     168.0       3.4
     169.0       5.9
     170.0       3.2
     171.0       9.2
     172.0       5.1
     173.0      16.0
     174.0      11.0
     175.0      14.0
     176.0       7.0
     177.0       7.7
     178.0       4.4
     179.0       3.0
     180.0       1.8
     181.0       4.7
     182.0       2.7
     183.0       7.0
     184.0       4.0
     185.0       9.5
     186.0       5.8
     187.0      14.0
     188.0       5.6
     189.0       6.2
     190.0       9.1
     191.0       9.0
     192.0       3.4
     193.0      11.0
     194.0       2.5
     195.0       4.5
     196.0       2.5
     197.0       7.6
     198.0       5.2
     199.0      11.5
     200.0       5.1
     201.0      10.4
     202.0      12.7
     203.0      17.5
     204.0       9.4
     205.0       6.2
     206.0       3.9
     207.0       4.6
     208.0       1.7
     209.0       4.7
     210.0       3.6
     211.0      10.3
     212.0       7.1
     213.0      15.5
     214.0      10.1
     215.0      65.6
     216.0      37.0
     217.0      11.4
     218.0       2.9
     219.0       4.2
     220.0       2.3
     221.0       2.4
     222.0       1.3
     223.0       3.7
     224.0       2.3
     225.0       5.9
     226.0       6.9
     227.0       9.1
     228.0       6.8
     229.0       9.4
     230.0       5.1
     231.0       6.8
     232.0       6.0
     233.0      71.8
     234.0      18.6
     235.0       4.3
     236.0       1.7
     237.0       3.6
     238.0       4.5
     239.0       9.4
     240.0       6.3
     241.0       8.3
     242.0       3.8
     243.0       5.2
     244.0       4.8
     245.0       5.3
     246.0       1.8
     247.0       1.6
     248.0       1.4
     249.0       2.4
     250.0      35.9
     251.0       8.9
     252.0       3.6
     253.0       5.4
     254.0       4.0
     255.0       5.2
     256.0      11.8
     257.0      14.2
     258.0       5.4
     259.0       3.4
     260.0       1.0
     261.0       1.4
     263.0       2.0
     264.0       1.2
     265.0       1.6
     266.0       1.1
     267.0       1.8
     268.0       2.2
     269.0       3.6
     270.0       3.8
     271.0       3.5
     272.0       1.7
     273.0       1.8
     274.0       1.4
     275.0       1.9
     276.0       1.2
     277.0       1.7
     278.0       1.0
     279.0       1.8
     281.0       2.0
     282.0       1.8
     283.0       1.4
     284.0       1.1
     287.0       1.0
     288.0       1.0
     289.0       1.4
     290.0       1.0
     291.0       2.0
     292.0       1.4
     293.0       1.8
     294.0       1.4
     295.0       2.0
     296.0       1.2
     297.0       1.8
     303.0       1.4
     304.0       1.0
     305.0       2.0
     307.0       2.3
     308.0       2.0
     309.0       2.2
     310.0       2.2
     311.0       1.2
     312.0       1.1
     317.0       1.0
     318.0       3.2
     319.0       4.7
     320.0       2.4
     321.0       4.6
     322.0       2.5
     323.0       3.2
     324.0       1.3
     325.0       1.7
     331.0       3.3
     335.0       4.4
     336.0      12.3
     337.0       5.1
     338.0       3.3
     339.0       2.5
     340.0       1.7
     341.0       1.1
     346.0       5.1
     347.0       2.9
     349.0      12.8
     350.0       3.3
     353.0       3.3
     354.0       5.5
     355.0       1.8
     364.0      39.3
     365.0      11.7
     366.0       2.8
     367.0      10.7
     368.0       2.9
     382.0     100.0
     383.0      27.6
     384.0       5.0
     385.0       1.3
     399.0       3.2
     400.0      12.9
     401.0       3.5
     424.0       1.1
     442.0       8.2
     443.0       3.5

KBr disc