15455-83-1

膽固醇正壬基碳酸酯(15455-83-1)紅外圖譜(IR1)

分子式:C37H64O3

分子量: 556.9

InChI:InChI=1/C37H64O3/c1-7-8-9-10-11-12-13-25-39-35(38)40-30-21-23-36(5)29(26-30)17-18-31-33-20-19-32(28(4)16-14-15-27(2)3)37(33,6)24-22-34(31)36/h17,27-28,30-34H,7-16,18-26H2,1-6H3/t28-,30+,31+,32-,33+,34+,36+,37-/s3

InChIKey: CLVJSPXXNWCOJH-GUEQAJQMNA-N

Smiles:[C@]12([C@]([H])(CC[C@]3(C)[C@H](CC[C@@]13[H])[C@H](C)CCCC(C)C)[C@@]1(C)CC[C@H](OC(=O)OCCCCCCCCC)CC1=CC2)[H] |&1:0,1,5,7,10,12,20,24,r|

IR1

IR2

Mass

MS2001-00211WA      
5-cholesten-3beta-yl nonyl carbonate
C37H64O3            (Mass of molecular ion:    556)

   Source Temperature: 210 °C
   Sample Temperature: 100 °C
   Direct, 70 eV

      29.0       1.4
      41.0       4.8
      42.0       1.6
      43.0      17.1
      55.0       5.4
      56.0       2.4
      57.0       8.8
      67.0       2.0
      69.0       4.8
      70.0       2.0
      71.0       5.6
      79.0       1.8
      81.0       4.6
      83.0       2.6
      85.0       2.1
      91.0       2.4
      93.0       3.2
      95.0       4.0
      97.0       1.7
     105.0       4.0
     106.0       1.4
     107.0       3.8
     108.0       1.3
     109.0       2.6
     117.0       1.4
     119.0       2.8
     120.0       3.0
     121.0       3.2
     123.0       1.2
     131.0       2.7
     133.0       3.7
     134.0       1.0
     135.0       2.4
     143.0       2.6
     144.0       1.2
     145.0       6.7
     146.0       2.2
     147.0       6.9
     148.0       1.7
     149.0       1.7
     157.0       1.7
     158.0       1.6
     159.0       4.0
     160.0       2.3
     161.0       2.9
     163.0       1.1
     171.0       1.0
     173.0       1.5
     175.0       1.0
     185.0       1.1
     199.0       1.6
     201.0       1.0
     205.0       1.0
     213.0       3.9
     214.0       1.4
     215.0       1.3
     228.0       1.1
     247.0       5.9
     248.0       1.4
     255.0       5.4
     256.0       1.2
     260.0       5.6
     261.0       1.8
     283.0       1.0
     326.0       1.1
     353.0       8.6
     354.0       2.6
     366.0       1.6
     367.0       1.8
     368.0     100.0
     369.0      38.5
     370.0       7.5
     371.0       1.1

KBr disc