15455-81-9

胆固醇庚基碳酸盐(15455-81-9)红外图谱(IR2)

分子式:C35H60O3

分子量: 528.85

InChI:InChI=1/C35H60O3/c1-7-8-9-10-11-23-37-33(36)38-28-19-21-34(5)27(24-28)15-16-29-31-18-17-30(26(4)14-12-13-25(2)3)35(31,6)22-20-32(29)34/h15,25-26,28-32H,7-14,16-24H2,1-6H3/t26-,28+,29+,30-,31+,32+,34+,35-/s3

InChIKey: VVEXXPUMMZEWSU-FTOCEYIINA-N

Smiles:[C@@]12([H])CC=C3C[C@@H](OC(=O)OCCCCCCC)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@H](CC[C@@]21[H])[C@H](C)CCCC(C)C |&1:0,6,20,22,26,28,31,33,r|

IR1

IR2

Mass

MS2001-00210WA      
5-cholesten-3beta-yl heptyl carbonate
C35H60O3            (Mass of molecular ion:    528)

   Source Temperature: 215 °C
   Sample Temperature:  60 °C
   Direct, 70 eV

      29.0       1.1
      41.0       3.0
      43.0       7.1
      55.0       4.0
      56.0       1.3
      57.0       7.7
      67.0       2.2
      69.0       3.1
      70.0       1.1
      71.0       2.2
      79.0       2.0
      81.0       5.4
      83.0       1.7
      91.0       2.5
      93.0       3.6
      94.0       1.0
      95.0       4.5
      97.0       1.2
     105.0       4.2
     106.0       1.5
     107.0       4.4
     108.0       1.5
     109.0       2.8
     117.0       1.4
     119.0       3.0
     120.0       3.3
     121.0       3.5
     123.0       1.3
     131.0       2.7
     133.0       4.0
     134.0       1.1
     135.0       2.7
     143.0       2.5
     144.0       1.1
     145.0       6.9
     146.0       2.4
     147.0       8.1
     148.0       1.9
     149.0       1.9
     157.0       1.6
     158.0       1.6
     159.0       3.9
     160.0       2.4
     161.0       3.0
     163.0       1.3
     171.0       1.0
     173.0       1.5
     175.0       1.1
     185.0       1.0
     199.0       1.4
     201.0       1.0
     205.0       1.2
     206.0       1.0
     213.0       3.8
     214.0       1.2
     215.0       1.0
     228.0       1.2
     246.0       1.0
     247.0       6.9
     248.0       1.7
     255.0       5.8
     256.0       1.3
     260.0       7.0
     261.0       2.2
     326.0       1.3
     353.0      10.2
     354.0       3.0
     366.0       1.4
     367.0       1.6
     368.0     100.0
     369.0      36.2
     370.0       6.5

KBr disc