143-62-4

毛地黄毒苷配基(143-62-4)红外图谱(IR1)

分子式:C23H34O4

分子量: 374.51

InChI:InChI=1/C23H34O4/c1-21-8-5-16(24)12-15(21)3-4-19-18(21)6-9-22(2)17(7-10-23(19,22)26)14-11-20(25)27-13-14/h11,15-19,24,26H,3-10,12-13H2,1-2H3/t15-,16+,17-,18+,19-,21+,22-,23+/s3

InChIKey: XZTUSOXSLKTKJQ-YLBJZHGYNA-N

Smiles:[C@]12(O)CC[C@H](C3=CC(=O)OC3)[C@@]1(C)CC[C@]1([H])[C@@]3(C)CC[C@H](O)C[C@@]3([H])CC[C@@]21[H] |&1:0,4,11,15,17,21,24,28,r|

¹HNMR

IR1

Raman

Mass

MS-IW-3110          
3beta,14-dihydroxy-5beta,14beta-card-20(22)-enolide
C23H34O4            (Mass of molecular ion:    374)

   Source Temperature: 190 °C
   Sample Temperature: 160 °C
   Direct, 75 eV

      18.0       2.0
      27.0       1.2
      28.0       1.1
      29.0       3.4
      39.0       1.7
      41.0      11.5
      43.0       8.8
      53.0       4.5
      54.0       1.3
      55.0      13.9
      56.0       1.1
      57.0       3.5
      65.0       2.1
      66.0       1.2
      67.0      13.2
      68.0       2.5
      69.0      10.2
      70.0       1.3
      71.0       1.7
      72.0       2.8
      77.0       5.1
      78.0       1.3
      79.0      12.5
      80.0       4.3
      81.0      15.0
      82.0       2.5
      83.0       4.2
      84.0       5.0
      85.0      20.2
      86.0       1.4
      91.0      10.6
      92.0       3.6
      93.0      15.9
      94.0       6.5
      95.0      15.8
      96.0       3.6
      97.0       3.7
      98.0      10.7
      99.0       1.8
     105.0      10.0
     106.0       5.7
     107.0      17.9
     108.0      13.4
     109.0      14.0
     110.0       7.9
     111.0      26.7
     112.0       2.3
     113.0       1.7
     117.0       2.3
     118.0       1.9
     119.0       8.1
     120.0       5.1
     121.0      11.0
     122.0       6.3
     123.0       4.5
     124.0      18.3
     125.0       5.0
     126.0       9.2
     127.0       1.4
     129.0       1.3
     131.0       3.6
     132.0       1.6
     133.0       9.7
     134.0       4.2
     135.0       5.3
     136.0       2.4
     137.0       2.6
     138.0       1.4
     142.0       1.0
     143.0       1.6
     144.0       1.0
     145.0       6.6
     146.0       3.4
     147.0      21.3
     148.0      11.1
     149.0       9.5
     150.0       2.0
     151.0       2.3
     152.0       1.6
     153.0       4.5
     154.0       3.6
     155.0       1.7
     157.0       1.5
     158.0       1.3
     159.0       3.6
     160.0       1.7
     161.0       6.8
     162.0      18.9
     163.0       5.3
     164.0       1.5
     165.0       3.3
     168.0       1.7
     171.0       1.5
     172.0       1.3
     173.0       2.2
     174.0       7.2
     175.0       5.5
     176.0       3.0
     177.0       3.4
     178.0       2.2
     179.0       2.8
     180.0       5.5
     181.0       3.2
     182.0       2.7
     183.0       1.6
     184.0       1.0
     185.0       1.6
     187.0       2.2
     188.0       1.3
     189.0       3.3
     190.0       1.3
     191.0       1.1
     192.0       1.2
     193.0       2.0
     195.0      10.4
     196.0       1.6
     197.0       5.4
     199.0       1.2
     201.0       1.9
     202.0       2.9
     203.0     100.0
     204.0      17.6
     205.0       2.6
     208.0       1.1
     210.0       5.2
     211.0       1.4
     213.0       2.9
     215.0       2.0
     218.0       1.0
     219.0       5.4
     220.0       2.6
     221.0       2.8
     228.0       1.4
     231.0       4.2
     232.0       1.6
     233.0       2.7
     235.0       1.0
     246.0      16.9
     247.0       3.7
     249.0       1.6
     250.0       1.2
     259.0       3.1
     264.0       3.8
     286.0       1.2
     290.0       1.0
     318.0       1.0
     323.0       2.3
     338.0       5.5
     339.0       1.7
     341.0       2.5
     356.0      30.5
     357.0       7.9
     358.0       1.2
     374.0       7.0
     375.0       2.1