83-49-8

猪去氧胆酸(83-49-8)核磁图(¹³CNMR)

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|

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