481-20-9

COPROSTANE(481-20-9) MS

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-UDKPEZOTNA-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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IR1

IR2

Raman

COPROSTANE(481-20-9) MS
Mass

MS-NW-6969          
5beta-cholestane
C27H48              (Mass of molecular ion:    372)

   Source Temperature: 210 °C
   Sample Temperature: 120 °C
   Direct, 75 eV

      18.0       1.1
      27.0       1.8
      29.0       5.9
      39.0       1.6
      41.0      17.5
      42.0       1.7
      43.0      22.4
      53.0       3.3
      54.0       1.5
      55.0      29.3
      56.0       2.5
      57.0      13.6
      65.0       1.1
      67.0      22.8
      68.0       7.1
      69.0      15.7
      70.0       1.5
      71.0       6.0
      77.0       3.9
      78.0       1.0
      79.0      13.6
      80.0       3.9
      81.0      31.1
      82.0       7.3
      83.0      12.3
      84.0       1.1
      85.0       1.3
      91.0       7.5
      92.0       2.0
      93.0      15.9
      94.0       6.8
      95.0      34.5
      96.0       5.4
      97.0       8.5
     105.0       6.0
     106.0       2.5
     107.0      15.0
     108.0      25.7
     109.0      32.5
     110.0       4.6
     111.0       3.6
     119.0       3.4
     120.0       2.6
     121.0      16.3
     122.0      15.5
     123.0      17.8
     124.0       2.4
     125.0       1.2
     133.0       3.9
     134.0       2.3
     135.0      12.5
     136.0       6.4
     137.0       7.1
     138.0       1.1
     147.0       5.7
     148.0       8.3
     149.0      21.3
     150.0      17.5
     151.0      28.7
     152.0      12.0
     153.0       1.8
     161.0       5.4
     162.0       6.7
     163.0       8.5
     164.0       2.8
     165.0       1.4
     175.0       6.8
     176.0       3.5
     177.0       2.6
     189.0       3.5
     190.0       2.3
     191.0       1.5
     203.0       9.4
     204.0       2.6
     205.0       1.2
     208.0       1.8
     216.0       1.5
     217.0     100.0
     218.0      57.3
     219.0      15.4
     220.0       2.2
     231.0       1.8
     232.0      11.8
     233.0       3.6
     247.0       1.2
     259.0       2.4
     262.0       6.6
     263.0       1.7
     276.0       3.1
     287.0       1.0
     315.0       2.2
     316.0       1.6
     357.0      37.7
     358.0      11.3
     359.0       1.7
     372.0      76.3
     373.0      23.0
     374.0       3.6

KBr disc

nujol mull

4880 A,200 M,powder

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