83-46-5

β-谷甾醇(83-46-5)红外图谱(IR1)

分子式:C29H50O

分子量: 414.72

InChI:InChI=1/C29H50O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10,19-21,23-27,30H,7-9,11-18H2,1-6H3/t20-,21-,23+,24+,25-,26+,27+,28+,29-/s3

InChIKey: KZJWDPNRJALLNS-HKAACAJGNA-N

Smiles:C[C@]12CC[C@]3([H])[C@]4(CC[C@H](O)CC4=CC[C@@]3([H])[C@]1([H])CC[C@]2([H])[C@H](C)CC[C@@H](CC)C(C)C)C |&1:1,4,6,9,15,17,21,23,27,r|

Mass

MS-NW-9980          
5-stigmasten-3beta-ol
C29H50O             (Mass of molecular ion:    414)

   Source Temperature: 190 °C
   Sample Temperature: 140 °C
   Direct, 75 eV

      18.0       2.4
      27.0       1.4
      29.0       4.0
      39.0       1.2
      41.0      15.2
      42.0       1.8
      43.0      32.8
      44.0       1.1
      53.0       2.9
      55.0      28.1
      56.0       2.0
      57.0      20.3
      58.0       1.0
      65.0       1.7
      67.0      17.3
      68.0       2.5
      69.0      19.8
      70.0       1.8
      71.0      16.0
      72.0       1.0
      77.0       6.2
      78.0       1.8
      79.0      20.3
      80.0       3.2
      81.0      34.5
      82.0       4.3
      83.0      14.8
      84.0       1.7
      85.0      11.4
      91.0      23.4
      92.0       5.8
      93.0      24.6
      94.0       7.3
      95.0      33.2
      96.0       4.6
      97.0      13.2
      98.0       1.4
      99.0       2.5
     103.0       1.5
     104.0       1.7
     105.0      30.3
     106.0       9.5
     107.0      35.0
     108.0      11.2
     109.0      20.5
     110.0       3.9
     111.0       8.6
     113.0       1.0
     115.0       2.4
     116.0       1.5
     117.0      10.5
     118.0       6.2
     119.0      23.3
     120.0      17.1
     121.0      23.2
     122.0       7.0
     123.0      13.1
     124.0       5.8
     125.0       7.7
     127.0       1.4
     128.0       3.0
     129.0       6.8
     130.0       3.8
     131.0      19.5
     132.0       6.5
     133.0      27.0
     134.0      10.5
     135.0      23.2
     136.0       7.2
     137.0       8.8
     138.0       3.3
     139.0       3.2
     141.0       2.3
     142.0       2.2
     143.0      15.2
     144.0       7.1
     145.0      41.7
     146.0      12.2
     147.0      29.9
     148.0       9.6
     149.0      17.4
     150.0       3.5
     151.0       7.5
     152.0       1.9
     153.0       1.1
     155.0       1.9
     156.0       1.5
     157.0      11.7
     158.0      13.6
     159.0      32.4
     160.0      22.0
     161.0      31.9
     162.0       8.8
     163.0      28.0
     164.0       5.3
     165.0       5.4
     166.0       1.7
     169.0       1.9
     170.0       1.1
     171.0      11.1
     172.0       4.8
     173.0      18.5
     174.0       7.3
     175.0      10.4
     176.0       4.8
     177.0      11.1
     178.0      16.9
     179.0       5.8
     180.0       1.3
     183.0       2.1
     184.0       1.1
     185.0      11.8
     186.0       5.4
     187.0      11.7
     188.0       3.4
     189.0       7.5
     190.0       2.4
     191.0      10.5
     192.0       3.0
     193.0       2.4
     197.0       3.1
     198.0       1.4
     199.0      15.8
     200.0       5.5
     201.0       9.7
     202.0       2.8
     203.0       4.8
     204.0       1.5
     205.0       8.4
     206.0       1.8
     207.0       2.7
     211.0       3.1
     212.0       1.8
     213.0      43.0
     214.0      12.9
     215.0      13.2
     216.0       4.1
     217.0       6.1
     218.0       2.6
     219.0       5.8
     220.0       3.4
     221.0       3.5
     225.0       1.3
     227.0       9.1
     228.0      12.4
     229.0      14.6
     230.0       4.5
     231.0      29.4
     232.0       9.4
     233.0       7.8
     234.0       6.4
     235.0       2.5
     239.0       2.5
     240.0       1.1
     241.0       6.9
     242.0       2.3
     243.0       2.1
     244.0       1.0
     245.0       4.2
     246.0       7.0
     247.0       5.9
     248.0       3.0
     253.0       3.2
     254.0       2.4
     255.0      44.1
     256.0      10.1
     257.0       5.1
     258.0       2.1
     259.0       3.9
     260.0       3.9
     261.0      10.0
     262.0       2.7
     267.0       1.2
     269.0       1.9
     270.0       1.8
     271.0       7.9
     272.0       5.7
     273.0      33.6
     274.0      13.4
     275.0      13.4
     276.0       4.4
     281.0       2.8
     282.0       1.5
     283.0       6.7
     284.0       2.0
     285.0       2.3
     286.0       1.0
     287.0       2.8
     288.0      11.5
     289.0      26.6
     290.0       7.3
     291.0       1.1
     296.0       2.1
     297.0       1.7
     299.0       4.1
     300.0       4.6
     301.0       5.5
     302.0      11.7
     303.0      31.7
     304.0       7.7
     305.0       1.0
     313.0       1.5
     314.0      10.7
     315.0      29.7
     316.0       8.3
     317.0       1.3
     325.0       1.4
     327.0       2.8
     328.0       4.9
     329.0      37.7
     330.0      10.6
     331.0       1.8
     339.0       2.2
     340.0       4.7
     341.0       5.1
     342.0       3.7
     343.0       3.2
     344.0       1.4
     351.0       2.0
     353.0       2.9
     354.0       7.1
     355.0       4.5
     356.0       2.9
     357.0       4.1
     358.0       1.4
     365.0       1.0
     367.0      24.5
     368.0       9.3
     369.0       4.3
     370.0       2.4
     371.0       3.0
     372.0       1.3
     379.0       1.7
     380.0       2.2
     381.0      31.3
     382.0      53.2
     383.0      17.4
     384.0       5.8
     385.0      21.3
     386.0       7.9
     387.0       1.9
     394.0       3.2
     395.0       2.3
     396.0      60.1
     397.0      20.6
     398.0       8.5
     399.0      29.9
     400.0      76.0
     401.0      22.8
     402.0       4.7
     412.0       8.2
     413.0       3.5
     414.0     100.0
     415.0      31.9
     416.0       6.6
     417.0       1.0