1672-46-4

地谷新配基(1672-46-4)质谱(MS)

分子式:C23H34O5

分子量: 390.51

InChI:InChI=1/C23H34O5/c1-21-7-5-15(24)10-14(21)3-4-17-18(21)11-19(25)22(2)16(6-8-23(17,22)27)13-9-20(26)28-12-13/h9,14-19,24-25,27H,3-8,10-12H2,1-2H3/t14-,15+,16-,17-,18+,19-,21+,22+,23+/s3

InChIKey: SHIBSTMRCDJXLN-MJLPMHPHNA-N

Smiles:[C@]12(O)CC[C@H](C3=CC(=O)OC3)[C@@]1(C)[C@H](O)C[C@]1([H])[C@@]3(C)CC[C@H](O)C[C@@]3([H])CC[C@@]21[H] |&1:0,4,11,13,16,18,22,25,29,r|

IR1

Mass

MS-IW-0988          
digoxigenin
C23H34O5            (Mass of molecular ion:    390)

   Source Temperature: 190 °C
   Sample Temperature: 180 °C
   Direct, 75 eV

      29.0       2.3
      39.0       1.1
      41.0       5.5
      43.0       6.3
      53.0       3.1
      55.0      10.2
      57.0       3.4
      65.0       1.9
      66.0       1.5
      67.0       9.2
      68.0       1.4
      69.0       4.5
      71.0       1.8
      72.0       1.5
      77.0       4.4
      78.0       1.1
      79.0      10.6
      80.0       3.1
      81.0      11.4
      82.0       2.1
      83.0       5.3
      84.0       1.1
      85.0       5.7
      91.0      10.8
      92.0       2.9
      93.0      15.9
      94.0       6.0
      95.0      13.8
      96.0       4.1
      97.0       4.9
      98.0       9.8
      99.0       2.3
     100.0       2.0
     101.0      11.5
     105.0      13.9
     106.0       6.4
     107.0      20.2
     108.0      15.3
     109.0      15.5
     110.0       6.0
     111.0      18.7
     112.0       2.4
     114.0       1.0
     115.0       1.8
     117.0       3.9
     118.0       3.2
     119.0      10.9
     120.0       6.6
     121.0      14.5
     122.0       7.7
     123.0       7.7
     124.0       9.4
     125.0       5.6
     126.0       4.0
     127.0       1.7
     128.0       1.9
     129.0       3.0
     130.0       1.6
     131.0       9.2
     132.0       3.4
     133.0      11.0
     134.0       8.0
     135.0      10.2
     136.0       7.3
     137.0       7.9
     138.0       3.9
     139.0       2.2
     141.0       2.0
     142.0       2.0
     143.0       4.9
     144.0       4.2
     145.0      15.1
     146.0       9.7
     147.0      31.1
     148.0      14.4
     149.0      16.0
     150.0       5.6
     151.0       4.6
     152.0       4.4
     153.0       6.8
     154.0       2.9
     155.0       4.2
     156.0       1.9
     157.0       5.3
     158.0       3.1
     159.0       9.2
     160.0       8.7
     161.0      10.1
     162.0      14.9
     163.0      14.5
     164.0       7.6
     165.0       7.7
     166.0       2.7
     167.0       2.8
     168.0       1.7
     169.0       4.0
     170.0       2.9
     171.0       5.7
     172.0      18.2
     173.0      14.7
     174.0       5.7
     175.0      10.0
     176.0       7.6
     177.0       5.6
     178.0       4.7
     179.0       4.5
     180.0      11.3
     181.0      11.6
     182.0       8.0
     183.0       7.8
     184.0       3.7
     185.0       7.7
     186.0       3.7
     187.0       8.6
     188.0       4.1
     189.0       5.1
     190.0      12.4
     191.0      11.1
     192.0       5.8
     193.0       8.3
     194.0       2.3
     195.0       3.9
     196.0       2.9
     197.0       3.7
     198.0       2.3
     199.0       6.6
     200.0       6.5
     201.0     100.0
     202.0      27.5
     203.0      16.5
     204.0       4.0
     205.0       3.5
     206.0       2.3
     207.0       2.4
     208.0       6.0
     209.0       5.2
     210.0       2.4
     211.0      13.5
     212.0       3.4
     213.0       4.2
     214.0       3.8
     215.0       4.3
     216.0       4.0
     217.0       7.9
     218.0      23.9
     219.0      41.5
     220.0       9.2
     221.0       5.6
     222.0       1.8
     223.0       2.0
     224.0       1.3
     225.0       2.0
     226.0       5.3
     227.0       5.3
     228.0       5.4
     229.0      18.5
     230.0       6.7
     231.0       6.6
     232.0       2.6
     233.0       3.1
     234.0       6.4
     235.0       3.9
     236.0       4.6
     237.0       2.8
     238.0       1.2
     239.0       2.0
     240.0       1.4
     241.0       2.1
     242.0       2.8
     243.0       4.0
     244.0      18.9
     245.0       7.6
     246.0       3.0
     247.0      11.3
     248.0       3.2
     249.0       4.2
     250.0       1.9
     251.0       2.0
     252.0       1.1
     253.0       1.3
     254.0       1.4
     255.0       3.2
     256.0       1.7
     257.0       5.9
     258.0       2.7
     259.0       1.7
     260.0       1.7
     261.0       2.3
     262.0      39.4
     263.0       9.1
     264.0       1.8
     265.0       5.6
     266.0       1.8
     267.0       1.8
     268.0       1.0
     269.0       1.5
     270.0       1.1
     271.0       1.3
     272.0       2.1
     273.0       1.9
     274.0       1.0
     275.0       5.3
     276.0       1.9
     277.0       2.4
     278.0       1.2
     279.0       1.7
     280.0       1.4
     281.0       1.5
     282.0       2.3
     283.0       1.6
     284.0       2.1
     285.0       1.4
     290.0       1.5
     291.0       1.3
     292.0       2.2
     293.0       2.3
     294.0       1.6
     295.0       3.6
     296.0       1.4
     297.0       1.7
     298.0       1.3
     299.0       1.1
     300.0       2.5
     301.0       1.6
     302.0       1.0
     303.0       1.4
     307.0       1.1
     308.0       3.0
     309.0       1.8
     310.0       5.1
     311.0       6.1
     312.0       2.4
     313.0       3.5
     314.0       1.0
     315.0       1.2
     316.0       1.0
     318.0       1.2
     319.0       1.0
     321.0       7.1
     322.0       1.8
     325.0       2.6
     326.0       6.0
     327.0       2.0
     328.0       5.5
     329.0       2.2
     336.0      15.6
     337.0       4.7
     338.0       1.3
     339.0       9.7
     340.0       2.5
     344.0       9.0
     345.0       2.3
     352.0       1.4
     354.0      48.5
     355.0      13.1
     356.0       2.3
     357.0       2.6
     370.0       1.0
     372.0      18.2
     373.0       5.1
     390.0       1.2
     391.0       1.4

KBr disc