566-88-1

5-Α-胆甾烷-3-酮(566-88-1)红外图谱(IR2)

分子式:C27H46O

分子量: 386.65

InChI:InChI=1/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h18-20,22-25H,6-17H2,1-5H3/t19-,20+,22+,23-,24+,25+,26+,27-/s3

InChIKey: PESKGJQREUXSRR-BOCBADGTNA-N

Smiles:[C@@]12([H])CC[C@H]([C@H](C)CCCC(C)C)[C@@]1(C)CC[C@]1([H])[C@@]3(C)CCC(=O)C[C@]3([H])CC[C@@]21[H] |&1:0,4,5,13,17,19,26,30,r|

Mass

MS-NW-6957          
5alpha-cholestan-3-one
C27H46O             (Mass of molecular ion:    386)

   Source Temperature: 230 °C
   Sample Temperature: 150 °C
   Direct, 75 eV

      27.0       3.3
      29.0       7.7
      39.0       2.5
      41.0      22.7
      42.0       2.8
      43.0      29.9
      44.0       1.1
      53.0       4.8
      54.0       1.5
      55.0      28.3
      56.0       3.9
      57.0      15.6
      65.0       1.7
      66.0       1.0
      67.0      18.1
      68.0      10.2
      69.0      15.8
      70.0       2.6
      71.0       6.7
      77.0       4.9
      78.0       1.2
      79.0      16.1
      80.0       3.8
      81.0      26.2
      82.0       6.2
      83.0       9.1
      84.0       1.1
      85.0       1.5
      91.0       9.8
      92.0       2.2
      93.0      17.2
      94.0       5.3
      95.0      24.6
      96.0       3.7
      97.0       6.3
     105.0       9.3
     106.0       3.4
     107.0      15.4
     108.0       7.4
     109.0      15.7
     110.0       4.5
     111.0       4.6
     117.0       1.9
     118.0       2.2
     119.0       8.6
     120.0       4.2
     121.0      15.8
     122.0       8.6
     123.0      17.7
     124.0      14.9
     125.0       2.8
     131.0       3.5
     132.0       1.6
     133.0       6.1
     134.0       2.5
     135.0       8.3
     136.0       4.5
     137.0       6.9
     138.0       1.2
     143.0       1.1
     145.0       3.6
     146.0       1.5
     147.0       5.4
     148.0       2.1
     149.0       6.5
     150.0       1.4
     151.0       2.1
     152.0       1.1
     157.0       1.4
     159.0       4.6
     160.0       2.3
     161.0       7.0
     162.0       3.4
     163.0      16.9
     164.0       4.4
     165.0       3.6
     171.0       1.3
     173.0       3.6
     174.0       2.5
     175.0       5.5
     176.0       4.1
     177.0       2.9
     178.0       1.4
     179.0       2.4
     187.0       1.9
     188.0       1.1
     189.0       4.6
     190.0       3.0
     191.0       1.8
     199.0       1.2
     201.0       1.3
     203.0       4.4
     204.0       5.8
     205.0       2.1
     208.0       1.3
     213.0       4.2
     214.0       1.3
     215.0       6.4
     216.0       1.5
     217.0      20.9
     218.0       5.0
     219.0       1.5
     228.0       1.0
     229.0       1.3
     230.0       2.6
     231.0     100.0
     232.0      65.4
     233.0      16.2
     234.0       2.2
     245.0       1.8
     246.0      12.3
     247.0       4.5
     255.0       1.8
     257.0       1.5
     259.0       1.1
     260.0       1.6
     261.0       2.6
     262.0       1.6
     263.0       3.3
     272.0       1.1
     273.0       3.0
     275.0       1.9
     301.0       1.6
     316.0       1.0
     353.0       1.2
     371.0      12.8
     372.0       4.1
     386.0      57.1
     387.0      17.6
     388.0       3.0
     400.0       1.1