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83-49-8

猪去氧胆酸(83-49-8)核磁图(13CNMR)

产品名称:猪去氧胆酸

CAS:83-49-8

分子式:C24H40O4

分子量: 392.58

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

InChIKey: DGABKXLVXPYZII-UKXBISNXNA-N

Smiles:C[C@]12CC[C@@H](O)C[C@@]1([H])[C@@H](O)C[C@@]1([H])[C@]3([H])CC[C@]([H])([C@H](C)CCC(=O)O)[C@@]3(C)CC[C@]21[H] |&1:1,4,7,9,12,14,18,20,27,31,r|

  • 图谱
    Mass

    MS-NW-2365          
    3alpha,6alpha-dihydroxy-5beta-cholan-24-oic acid
    C24H40O4            (Mass of molecular ion:    392)
    

       Source Temperature: 240 °C
       Sample Temperature: 180 °C
       Direct, 75 eV
    

          17.0       7.0
          18.0      32.8
          26.0       1.4
          27.0       9.6
          28.0       7.4
          29.0      24.7
          30.0       1.0
          31.0       4.0
          39.0       9.8
          40.0       2.6
          41.0      56.0
          42.0       4.0
          43.0      22.0
          44.0       1.9
          45.0       4.5
          51.0       1.8
          52.0       1.2
          53.0      16.9
          54.0       4.2
          55.0      88.4
          56.0       6.3
          57.0      13.0
          58.0       1.4
          59.0       8.3
          60.0       7.4
          65.0       6.6
          66.0       3.3
          67.0      52.7
          68.0      18.0
          69.0      28.0
          70.0       3.4
          71.0       5.6
          73.0       3.5
          74.0       1.4
          77.0      17.6
          78.0       4.8
          79.0      43.4
          80.0      10.7
          81.0      69.6
          82.0      11.0
          83.0      20.8
          84.0       3.5
          85.0       9.3
          86.0       1.3
          87.0       1.2
          91.0      37.7
          92.0       9.8
          93.0      51.5
          94.0      26.7
          95.0     100.0
          96.0      12.9
          97.0      12.3
          98.0       2.4
          99.0       3.4
         101.0       5.8
         102.0       1.0
         103.0       2.6
         104.0       3.0
         105.0      42.2
         106.0      19.0
         107.0      44.9
         108.0      22.1
         109.0      29.5
         110.0       6.8
         111.0       5.9
         112.0       1.5
         113.0       1.7
         114.0       1.0
         115.0       5.0
         116.0       2.4
         117.0      12.1
         118.0      14.5
         119.0      29.7
         120.0      18.4
         121.0      32.6
         122.0      20.1
         123.0      18.0
         124.0       6.4
         125.0       7.2
         126.0       1.3
         127.0       4.7
         128.0       4.4
         129.0       6.9
         130.0       3.6
         131.0      23.8
         132.0       9.6
         133.0      28.2
         134.0      16.3
         135.0      23.8
         136.0       7.1
         137.0       6.4
         138.0       2.9
         139.0       2.4
         140.0       5.7
         141.0       7.1
         142.0       3.6
         143.0      15.2
         144.0       6.7
         145.0      35.6
         146.0      13.1
         147.0      29.8
         148.0      15.5
         149.0      16.5
         150.0       5.2
         151.0       5.1
         152.0       2.8
         153.0       2.1
         154.0       1.2
         155.0       3.5
         156.0       2.3
         157.0      13.4
         158.0      10.2
         159.0      30.8
         160.0      18.5
         161.0      24.8
         162.0       9.6
         163.0       9.5
         164.0       5.9
         165.0       4.3
         166.0       1.2
         167.0       2.1
         169.0       2.9
         170.0       1.4
         171.0      12.9
         172.0      12.0
         173.0      28.1
         174.0      13.5
         175.0      12.1
         176.0       4.6
         177.0       7.7
         178.0       5.4
         179.0       2.9
         180.0       1.3
         181.0       4.6
         182.0       1.7
         183.0       2.7
         184.0       1.2
         185.0      10.1
         186.0       6.1
         187.0      14.2
         188.0       8.5
         189.0      10.2
         190.0       4.2
         191.0       5.5
         192.0       3.4
         193.0       3.1
         194.0       5.4
         195.0       5.2
         196.0       2.0
         197.0       4.2
         198.0       2.0
         199.0      16.3
         200.0       7.2
         201.0      11.9
         202.0       4.2
         203.0       5.1
         204.0       3.0
         205.0       1.8
         206.0       1.3
         207.0       2.6
         208.0       2.3
         209.0       2.2
         210.0       1.2
         211.0       3.4
         212.0       2.5
         213.0      72.4
         214.0      24.6
         215.0      20.1
         216.0      11.3
         217.0      11.4
         218.0       3.7
         219.0       3.3
         220.0       1.3
         221.0       2.0
         222.0       2.2
         223.0       2.7
         224.0       1.0
         225.0       1.5
         226.0       1.3
         227.0       8.5
         228.0      32.5
         229.0      13.4
         230.0       3.6
         231.0      48.8
         232.0      22.4
         233.0       8.0
         234.0       6.6
         235.0      13.1
         236.0       5.6
         237.0       2.4
         238.0       2.0
         239.0       1.6
         241.0       3.3
         242.0       2.5
         243.0       1.8
         244.0       1.4
         245.0       6.8
         246.0      34.2
         247.0       9.8
         248.0       7.9
         249.0       8.3
         250.0       3.8
         251.0       2.5
         252.0       1.0
         253.0       3.0
         254.0       1.6
         255.0      22.5
         256.0       5.6
         257.0       1.6
         259.0       1.4
         260.0       3.0
         261.0       3.4
         262.0       6.5
         263.0       2.8
         264.0       3.3
         265.0       1.6
         267.0       1.0
         271.0       1.7
         273.0       8.7
         274.0       3.2
         275.0       2.9
         276.0       2.6
         277.0       1.2
         278.0       1.7
         280.0       1.0
         282.0       1.4
         283.0       2.5
         284.0       1.1
         287.0       1.2
         288.0       1.3
         289.0       2.0
         290.0       1.7
         299.0       1.4
         300.0       1.5
         301.0       7.6
         302.0       6.7
         303.0       2.2
         310.0       1.5
         314.0       1.6
         315.0       5.8
         316.0       2.4
         317.0       1.4
         319.0       1.9
         320.0       1.3
         323.0       1.3
         327.0       1.0
         328.0       1.3
         330.0       1.0
         338.0       1.7
         339.0       1.8
         341.0      15.0
         342.0       4.2
         343.0       1.2
         354.0       1.1
         355.0       1.2
         356.0      43.7
         357.0      12.5
         358.0       2.4
         359.0      12.0
         360.0       3.3
         372.0       1.2
         374.0      39.1
         375.0      10.3
         376.0       1.6
    

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in DMSO-d6

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KBr disc

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nujol mull

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