Cholesterol(57-88-5) ¹³C NMR

Molecular FormulaC27H46O

Molecular Weight386.66

InChIInChI=1/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25,28H,6-8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/s3

InChIKey HVYWMOMLDIMFJA-XFNGPGOHNA-N

SmilesC[C@]12CC[C@]3([H])[C@]4(CC[C@H](O)CC4=CC[C@@]3([H])[C@]1([H])CC[C@]2([H])[C@H](C)CCCC(C)C)C |&1:1,4,6,9,15,17,21,23,r|

Request For Quotation

    Assign.     Shift(ppm)

      A             5.349
      B             3.524
      C             2.28
      L             1.006
      M             0.915
      P     *1      0.867
      Q     *1      0.862
      R             0.677

Spectral Code: 1H NMR : 400 MHz in CDCl3

       ppm   Int.  Assign.

      140.80   454      1
      121.69   447      2
       71.81   390      3
       56.80   383      4
       56.21   404      5
       50.19   567      6
       42.35  1000      7
                        8
       39.83   440      9
       39.56   567     10
       37.31   489     11
       36.56   426     12
       36.24   496     13
       35.81   454     14
       31.94   965     15
                       16
       31.71   340     17
       28.24   362     18
       28.02   525     19
       24.32   525     20
       23.89   468     21
       22.81   468     22
       22.60   383     22
       21.15   355     23
       19.43   454     24
       18.74   397     25
       11.89   262     26

Spectral Code: 13C NMR : in CDCl3