4-膽甾烯-3-酮(601-57-0)核磁圖(¹³CNMR)

分子式:C27H44O

分子量: 384.64

InChI:InChI=1S/C27H44O/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/h17-19,22-25H,6-16H2,1-5H3/t19-,22+,23-,24+,25+,26+,27-/m1/s1

InChIKey: NYOXRYYXRWJDKP-GYKMGIIDSA-N

Smiles:C1(=O)C=C2[C@](C)(CC1)[C@]1([H])[C@]([H])([C@@]3([H])[C@@](CC1)(C)[C@@H]([C@H](C)CCCC(C)C)CC3)CC2

Mass

MS-IW-7347          
4-cholesten-3-one
C27H44O             (Mass of molecular ion:    384)

   Source Temperature: 180 °C
   Sample Temperature: 190 °C
   Direct, 75 eV

      18.0       4.8
      27.0       1.6
      28.0       2.1
      29.0       4.4
      39.0       2.0
      41.0      14.1
      42.0       1.6
      43.0      16.8
      53.0       2.7
      55.0      20.1
      56.0       2.7
      57.0      12.6
      65.0       1.3
      67.0      10.8
      68.0       2.3
      69.0      12.6
      70.0       1.5
      71.0       6.6
      77.0       4.8
      78.0       1.3
      79.0      12.0
      80.0       2.3
      81.0      16.4
      82.0       2.9
      83.0       7.7
      85.0       1.8
      91.0      11.6
      92.0       2.4
      93.0      13.5
      94.0       5.8
      95.0      21.1
      96.0       3.3
      97.0       6.5
     105.0      11.9
     106.0       5.3
     107.0      16.6
     108.0       6.5
     109.0      15.2
     110.0       2.7
     111.0       5.4
     115.0       1.5
     117.0       3.6
     118.0       1.8
     119.0       9.9
     120.0       6.6
     121.0      15.3
     122.0      10.4
     123.0      14.3
     124.0     100.0
     125.0      11.1
     128.0       1.2
     129.0       2.2
     130.0       1.1
     131.0       6.4
     132.0       2.4
     133.0      11.4
     134.0       9.1
     135.0      19.5
     136.0       7.0
     137.0       9.9
     138.0       3.1
     141.0       1.1
     142.0       1.1
     143.0       2.9
     144.0       1.5
     145.0       6.3
     146.0       3.4
     147.0      19.2
     148.0      12.5
     149.0      17.0
     150.0       3.0
     151.0       2.0
     155.0       1.4
     156.0       1.3
     157.0       3.1
     158.0       1.7
     159.0       6.3
     160.0       2.9
     161.0       6.7
     162.0       3.4
     163.0       5.4
     164.0       1.1
     165.0       2.1
     169.0       1.2
     170.0       1.1
     171.0       2.7
     172.0       1.3
     173.0       5.3
     174.0       4.2
     175.0       5.7
     176.0       2.9
     177.0       3.5
     179.0       1.5
     183.0       1.3
     184.0       1.0
     185.0       2.6
     186.0       1.4
     187.0       7.6
     188.0       2.8
     189.0       4.0
     190.0       1.2
     191.0       2.1
     193.0       2.3
     197.0       1.7
     199.0       1.7
     200.0       1.2
     201.0       4.2
     202.0       3.5
     203.0       2.8
     205.0       1.8
     206.0       2.5
     207.0       1.2
     211.0       5.2
     212.0       2.4
     213.0       2.8
     214.0       1.1
     215.0       3.2
     216.0       1.9
     217.0       1.9
     219.0       1.7
     225.0       1.2
     226.0       1.8
     227.0       1.8
     228.0       1.6
     229.0      43.0
     230.0      12.7
     231.0       4.5
     232.0       1.3
     233.0       1.2
     243.0       3.4
     244.0       5.2
     245.0       7.3
     246.0       2.2
     247.0       7.2
     248.0       2.1
     253.0       3.8
     255.0       1.3
     257.0       3.3
     258.0       1.6
     259.0       1.5
     260.0      22.4
     261.0      32.6
     262.0       6.7
     263.0       1.3
     269.0       2.1
     270.0       1.0
     271.0      10.9
     272.0       2.9
     273.0       1.3
     274.0       1.2
     275.0       1.6
     286.0       2.8
     298.0       1.5
     299.0       8.9
     300.0       3.8
     301.0       1.1
     302.0       1.2
     327.0       5.8
     328.0       1.8
     340.0       1.2
     341.0       1.2
     342.0      21.3
     343.0       6.0
     351.0       1.8
     356.0       1.4
     364.0       1.1
     366.0       4.5
     367.0       2.5
     368.0       2.4
     369.0       9.2
     370.0       2.7
     382.0       1.6
     384.0      61.2
     385.0      19.6
     386.0       3.8