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128-13-2

熊去氧胆酸(128-13-2)红外图谱(IR1)

产品名称:熊去氧胆酸

CAS:128-13-2

分子式:C24H40O4

分子量: 392.57

InChI:InChI=1/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15+,16-,17-,18+,19+,20+,22+,23+,24-/s3

InChIKey: RUDATBOHQWOJDD-ASDBYDCHNA-N

Smiles:[C@@]12([H])CC[C@H]([C@H](C)CCC(=O)O)[C@@]1(C)CC[C@]1([H])[C@@]3(C)CC[C@@H](O)C[C@@]3([H])C[C@H](O)[C@@]21[H] |&1:0,4,5,12,16,18,22,25,28,30,r|

  • 图谱
    Mass

    MS-NW-2448          
    ursodeoxycholic acid
    C24H40O4            (Mass of molecular ion:    392)
    

       Source Temperature: 280 °C
       Sample Temperature: 190 °C
       Direct, 75 eV
    

          15.0       1.5
          17.0       8.6
          18.0      42.2
          26.0       2.0
          27.0      14.0
          28.0       8.7
          29.0      28.7
          30.0       1.1
          31.0       4.5
          36.0       2.1
          39.0      14.5
          40.0       3.4
          41.0      72.8
          42.0       5.3
          43.0      27.8
          44.0       2.5
          45.0       4.8
          51.0       3.5
          52.0       1.9
          53.0      21.6
          54.0       5.3
          55.0     100.0
          56.0       6.4
          57.0      14.6
          58.0       1.6
          59.0       9.2
          60.0       7.3
          63.0       1.2
          65.0       9.4
          66.0       4.4
          67.0      63.6
          68.0      16.2
          69.0      33.5
          70.0       9.3
          71.0       7.5
          72.0       1.0
          73.0       3.4
          74.0       1.4
          77.0      27.1
          78.0       7.0
          79.0      61.9
          80.0      14.5
          81.0      84.2
          82.0      15.5
          83.0      21.3
          84.0       5.0
          85.0      13.1
          86.0       1.2
          87.0       1.1
          89.0       1.2
          91.0      55.3
          92.0      14.8
          93.0      78.4
          94.0      55.2
          95.0      77.6
          96.0      15.7
          97.0      11.0
          98.0       3.0
          99.0       7.5
         100.0       1.1
         101.0       6.7
         102.0       2.5
         103.0       5.8
         104.0       4.3
         105.0      65.4
         106.0      31.2
         107.0      60.0
         108.0      28.9
         109.0      49.4
         110.0      10.9
         111.0       9.0
         112.0       2.3
         113.0       1.7
         114.0       1.8
         115.0       8.5
         116.0       4.0
         117.0      17.2
         118.0      16.1
         119.0      45.7
         120.0      28.1
         121.0      43.1
         122.0      26.3
         123.0      18.9
         124.0       6.3
         125.0       6.9
         126.0       2.2
         127.0       6.2
         128.0       8.0
         129.0      11.4
         130.0       5.3
         131.0      31.6
         132.0      15.4
         133.0      38.2
         134.0      20.2
         135.0      30.5
         136.0      10.0
         137.0      12.4
         138.0      20.3
         139.0      19.4
         140.0      24.0
         141.0      15.3
         142.0       6.0
         143.0      17.5
         144.0       8.4
         145.0      48.0
         146.0      19.1
         147.0      39.8
         148.0      26.2
         149.0      17.3
         150.0       6.0
         151.0       4.7
         152.0      14.2
         153.0       8.6
         154.0       3.2
         155.0       8.6
         156.0       4.1
         157.0      21.9
         158.0      15.4
         159.0      36.9
         160.0      21.2
         161.0      28.8
         162.0      18.7
         163.0      13.8
         164.0       4.5
         165.0       6.2
         166.0       2.1
         167.0       3.6
         168.0       2.5
         169.0       5.5
         170.0       2.5
         171.0      14.6
         172.0       9.0
         173.0      21.5
         174.0      14.6
         175.0      13.4
         176.0       8.9
         177.0       8.2
         178.0       7.6
         179.0       5.4
         180.0       2.5
         181.0      10.7
         182.0       3.2
         183.0       5.2
         184.0       2.2
         185.0      13.2
         186.0       6.5
         187.0      13.2
         188.0       5.7
         189.0       9.1
         190.0       4.0
         191.0       4.5
         192.0       5.0
         193.0       5.1
         194.0      19.5
         195.0       8.9
         196.0       2.9
         197.0       6.7
         198.0       2.9
         199.0      18.3
         200.0       9.1
         201.0      26.4
         202.0      11.7
         203.0       7.4
         204.0       3.6
         205.0       3.7
         206.0       2.1
         207.0       5.4
         208.0       3.4
         209.0       3.5
         210.0       1.8
         211.0       5.4
         212.0       3.3
         213.0      38.5
         214.0      14.8
         215.0      23.8
         216.0      10.4
         217.0      14.0
         218.0       4.5
         219.0       4.3
         220.0       2.5
         221.0       3.3
         222.0       1.8
         223.0       2.2
         224.0       1.3
         225.0       2.8
         226.0       2.6
         227.0       8.2
         228.0      30.4
         229.0      16.9
         230.0       5.0
         231.0      12.9
         232.0      18.4
         233.0       8.1
         234.0      11.0
         235.0      10.3
         236.0       6.5
         237.0       3.5
         238.0       2.2
         239.0       3.3
         240.0       2.0
         241.0       6.0
         242.0       5.0
         243.0       2.4
         244.0       1.8
         245.0       2.8
         246.0      23.3
         247.0       8.5
         248.0       8.1
         249.0       6.2
         250.0       5.5
         251.0       3.5
         252.0       1.7
         253.0       7.1
         254.0       3.2
         255.0      27.4
         256.0       7.7
         257.0       2.0
         258.0       1.0
         259.0       1.4
         260.0       5.3
         261.0       5.1
         262.0       5.4
         263.0       2.8
         264.0      14.1
         265.0       4.6
         266.0       1.7
         267.0       2.7
         268.0       1.2
         269.0       1.4
         271.0       1.8
         273.0       5.0
         274.0       4.4
         275.0       1.6
         276.0       3.0
         277.0       1.3
         278.0       2.9
         279.0       1.7
         280.0       1.9
         281.0       1.9
         282.0       2.4
         283.0       3.2
         284.0       2.5
         285.0       1.8
         287.0       1.9
         288.0       1.3
         289.0       1.8
         290.0       4.6
         291.0       1.4
         295.0       2.7
         296.0       1.2
         297.0       1.0
         299.0       2.1
         300.0       2.3
         301.0       3.8
         302.0       9.1
         303.0       2.8
         304.0       1.1
         305.0       1.3
         310.0       2.8
         313.0       1.2
         314.0       1.4
         315.0       2.6
         316.0       1.6
         318.0       1.0
         320.0       1.4
         323.0       2.3
         328.0       1.1
         338.0       2.7
         339.0       1.8
         341.0      14.6
         342.0       4.0
         343.0       1.0
         356.0      25.2
         357.0       6.9
         358.0       1.7
         359.0       2.4
         374.0       9.0
         375.0       2.3
         392.0       3.1
    

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KBr disc

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