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143-62-4

毛地黄毒苷配基(143-62-4)Raman光谱

产品名称:毛地黄毒苷配基

CAS:143-62-4

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|

  • 图谱
    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
    

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KBr disc

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