5α-Cholestane(481-21-0) ¹³C NMR

Molecular FormulaC27H48

Molecular Weight372.67

InChIInChI=1/C27H48/c1-19(2)9-8-10-20(3)23-14-15-24-22-13-12-21-11-6-7-17-26(21,4)25(22)16-18-27(23,24)5/h19-25H,6-18H2,1-5H3/t20-,21-,22+,23-,24+,25+,26+,27-/s3

InChIKey XIIAYQZJNBULGD-MOQCDQTFNA-N

Smiles[C@@]12([H])CC[C@@]3([H])CCCC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@H](CC[C@@]21[H])[C@H](C)CCCC(C)C |&1:0,4,10,12,16,18,21,23,r|

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Mass

MS-NW-6958          
5alpha-cholestane
C27H48              (Mass of molecular ion:    372)

   Source Temperature: 240 °C
   Sample Temperature: 140 °C
   Direct, 75 eV

      27.0       2.7
      29.0       7.3
      39.0       2.1
      41.0      21.6
      42.0       2.4
      43.0      29.2
      44.0       1.0
      53.0       4.1
      54.0       1.8
      55.0      31.3
      56.0       3.0
      57.0      15.4
      65.0       1.3
      67.0      26.1
      68.0       7.4
      69.0      16.5
      70.0       1.6
      71.0       6.4
      77.0       4.3
      78.0       1.1
      79.0      14.7
      80.0       4.0
      81.0      31.9
      82.0       6.4
      83.0      12.5
      84.0       1.1
      85.0       1.4
      91.0       8.5
      92.0       2.3
      93.0      16.9
      94.0       6.5
      95.0      33.3
      96.0       4.9
      97.0       8.6
     105.0       5.8
     106.0       2.6
     107.0      15.3
     108.0      13.9
     109.0      33.0
     110.0       4.6
     111.0       3.9
     117.0       1.1
     119.0       3.8
     120.0       2.1
     121.0      16.8
     122.0      13.6
     123.0      15.8
     124.0       2.2
     125.0       1.2
     131.0       1.0
     133.0       4.0
     134.0       2.4
     135.0      14.0
     136.0       6.0
     137.0       6.9
     138.0       1.0
     147.0       6.6
     148.0      11.2
     149.0      41.0
     150.0      15.9
     151.0       7.7
     152.0       2.0
     161.0       5.4
     162.0       6.7
     163.0       8.0
     164.0       2.0
     165.0       1.3
     175.0       8.3
     176.0       3.2
     177.0       2.6
     178.0       1.0
     189.0       3.7
     190.0       3.5
     191.0       1.7
     203.0      11.7
     204.0       3.3
     205.0       1.4
     208.0       1.1
     216.0       1.7
     217.0     100.0
     218.0      68.0
     219.0      20.0
     220.0       2.9
     231.0       1.8
     232.0      15.7
     233.0       4.1
     259.0       2.3
     262.0      11.6
     263.0       3.0
     275.0       1.0
     276.0       1.0
     287.0       1.0
     315.0       1.4
     357.0      32.4
     358.0       9.5
     359.0       1.4
     371.0       1.2
     372.0      68.3
     373.0      19.9
     374.0       3.1