566-28-9

胆甾-3-羟基-5-烯-7-酮(566-28-9)红外图谱(IR1)

分子式:C27H44O2

分子量: 400.65

InChI:InChI=1/C27H44O2/c1-17(2)7-6-8-18(3)21-9-10-22-25-23(12-14-27(21,22)5)26(4)13-11-20(28)15-19(26)16-24(25)29/h16-18,20-23,25,28H,6-15H2,1-5H3/t18-,20+,21-,22+,23+,25+,26+,27-/s3

InChIKey: YIKKMWSQVKJCOP-TWXHVRDXNA-N

Smiles:C[C@]12CC[C@]3([H])[C@]4(CC[C@H](O)CC4=CC(=O)[C@@]3([H])[C@]1([H])CC[C@]2([H])[C@H](C)CCCC(C)C)C |&1:1,4,6,9,16,18,22,24,r|

¹HNMR

IR1

IR2

Mass

MS-NW-6991          
3beta-hydroxy-5-cholesten-7-one
C27H44O2            (Mass of molecular ion:    400)

   Source Temperature: 220 °C
   Sample Temperature: 170 °C
   Direct, 75 eV

      18.0       1.2
      27.0       5.3
      29.0      12.1
      39.0       4.2
      41.0      31.3
      42.0       3.9
      43.0      54.2
      44.0       1.9
      53.0       5.4
      54.0       1.1
      55.0      25.2
      56.0       3.4
      57.0      20.7
      58.0       1.1
      65.0       3.0
      66.0       1.4
      67.0      15.4
      68.0       2.4
      69.0      11.7
      70.0       1.4
      71.0       7.4
      77.0       8.6
      78.0       2.7
      79.0      17.8
      80.0       4.1
      81.0      19.0
      82.0       2.4
      83.0       5.3
      85.0       1.1
      91.0      24.9
      92.0       3.8
      93.0      18.9
      94.0       4.0
      95.0      13.5
      96.0       1.8
      97.0       3.4
     103.0       1.8
     104.0       1.4
     105.0      14.6
     106.0       5.7
     107.0      16.5
     108.0       5.9
     109.0       8.6
     110.0       1.6
     111.0       1.7
     115.0       3.6
     116.0       1.8
     117.0       5.5
     118.0       2.0
     119.0       9.4
     120.0       2.6
     121.0       9.7
     122.0       3.3
     123.0       4.2
     124.0       1.2
     125.0       1.4
     127.0       1.2
     128.0       3.6
     129.0       4.7
     130.0       2.2
     131.0       6.8
     132.0       2.8
     133.0       9.2
     134.0      12.4
     135.0      19.4
     136.0       5.5
     137.0       2.5
     141.0       2.8
     142.0       2.3
     143.0       4.8
     144.0       2.2
     145.0       8.9
     146.0       4.2
     147.0       8.5
     148.0       3.4
     149.0       3.5
     150.0       1.6
     151.0       1.6
     152.0      11.0
     153.0       2.7
     154.0       1.3
     155.0       2.4
     156.0       1.5
     157.0       4.5
     158.0       2.9
     159.0      12.2
     160.0       5.0
     161.0      28.6
     162.0       5.1
     163.0       3.5
     164.0       1.0
     165.0       1.6
     166.0       1.3
     167.0       1.1
     169.0       2.4
     170.0       1.1
     171.0       3.8
     172.0       2.1
     173.0       9.0
     174.0      24.4
     175.0      10.1
     176.0       2.6
     177.0       3.9
     178.0       1.7
     179.0       4.3
     180.0       1.3
     181.0       1.4
     183.0       2.5
     184.0       1.2
     185.0       4.3
     186.0       1.7
     187.0      17.3
     188.0       4.5
     189.0       3.1
     190.0       1.6
     191.0       4.9
     192.0      27.2
     193.0       7.8
     194.0       2.1
     195.0       2.6
     196.0       1.2
     197.0       2.1
     198.0       1.2
     199.0       3.8
     200.0       1.5
     201.0       4.6
     202.0       1.4
     203.0       1.7
     205.0      11.1
     206.0       5.0
     207.0       2.4
     209.0       2.9
     210.0       1.4
     211.0       2.5
     212.0       1.3
     213.0       4.6
     214.0       1.9
     215.0       2.8
     216.0       1.2
     217.0       1.6
     219.0       3.9
     220.0       2.0
     225.0       1.4
     226.0       1.1
     227.0       5.3
     228.0       2.5
     229.0       4.2
     230.0       1.6
     231.0       1.7
     232.0       1.8
     233.0       2.4
     241.0       3.1
     242.0       2.4
     243.0       1.5
     244.0       1.1
     245.0       7.5
     246.0       4.2
     247.0       6.6
     248.0       2.3
     251.0       1.6
     253.0       1.2
     255.0       1.8
     259.0       2.5
     260.0       4.0
     261.0       1.6
     269.0       8.2
     270.0       2.3
     271.0       1.2
     273.0       1.3
     274.0       1.5
     275.0       2.4
     285.0       1.0
     286.0       1.0
     287.0      14.2
     288.0       4.1
     297.0       1.3
     315.0       2.0
     340.0       1.5
     341.0       2.3
     342.0       3.8
     343.0       3.7
     344.0       1.1
     349.0       1.0
     366.0       2.0
     367.0      19.5
     368.0       6.1
     369.0       1.2
     380.0       1.1
     381.0       1.2
     382.0      23.9
     383.0       7.5
     384.0       3.2
     385.0       5.1
     386.0       1.9
     398.0       2.1
     399.0       2.1
     400.0     100.0
     401.0      29.7
     402.0       5.1