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返回ChemicalBook首页>CAS数据库列表>566-28-9更多图谱> 胆甾-3-羟基-5-烯-7-酮(566-28-9)核磁图(1HNMR)

566-28-9

胆甾-3-羟基-5-烯-7-酮(566-28-9)核磁图(1HNMR)

分子式:C27H44O2

分子量: 400.65

InChI:InChI=1/C27H44O2/c1-17(2)7-6-8-18(3)21-9-10-22-25-23(12-14-27(21,22)5)26(4)13-11-20(28)15-19(26)16-24(25)29/h16-18,20-23,25,28H,6-15H2,1-5H3/t18-,20+,21-,22+,23+,25+,26+,27-/s3

InChIKey: YIKKMWSQVKJCOP-TWXHVRDXNA-N

Smiles:C[C@]12CC[C@]3([H])[C@]4(CC[C@H](O)CC4=CC(=O)[C@@]3([H])[C@]1([H])CC[C@]2([H])[C@H](C)CCCC(C)C)C |&1:1,4,6,9,16,18,22,24,r|

  • 图谱
    Mass

    MS-NW-6991          
    3beta-hydroxy-5-cholesten-7-one
    C27H44O2            (Mass of molecular ion:    400)
    

       Source Temperature: 220 °C
       Sample Temperature: 170 °C
       Direct, 75 eV
    

          18.0       1.2
          27.0       5.3
          29.0      12.1
          39.0       4.2
          41.0      31.3
          42.0       3.9
          43.0      54.2
          44.0       1.9
          53.0       5.4
          54.0       1.1
          55.0      25.2
          56.0       3.4
          57.0      20.7
          58.0       1.1
          65.0       3.0
          66.0       1.4
          67.0      15.4
          68.0       2.4
          69.0      11.7
          70.0       1.4
          71.0       7.4
          77.0       8.6
          78.0       2.7
          79.0      17.8
          80.0       4.1
          81.0      19.0
          82.0       2.4
          83.0       5.3
          85.0       1.1
          91.0      24.9
          92.0       3.8
          93.0      18.9
          94.0       4.0
          95.0      13.5
          96.0       1.8
          97.0       3.4
         103.0       1.8
         104.0       1.4
         105.0      14.6
         106.0       5.7
         107.0      16.5
         108.0       5.9
         109.0       8.6
         110.0       1.6
         111.0       1.7
         115.0       3.6
         116.0       1.8
         117.0       5.5
         118.0       2.0
         119.0       9.4
         120.0       2.6
         121.0       9.7
         122.0       3.3
         123.0       4.2
         124.0       1.2
         125.0       1.4
         127.0       1.2
         128.0       3.6
         129.0       4.7
         130.0       2.2
         131.0       6.8
         132.0       2.8
         133.0       9.2
         134.0      12.4
         135.0      19.4
         136.0       5.5
         137.0       2.5
         141.0       2.8
         142.0       2.3
         143.0       4.8
         144.0       2.2
         145.0       8.9
         146.0       4.2
         147.0       8.5
         148.0       3.4
         149.0       3.5
         150.0       1.6
         151.0       1.6
         152.0      11.0
         153.0       2.7
         154.0       1.3
         155.0       2.4
         156.0       1.5
         157.0       4.5
         158.0       2.9
         159.0      12.2
         160.0       5.0
         161.0      28.6
         162.0       5.1
         163.0       3.5
         164.0       1.0
         165.0       1.6
         166.0       1.3
         167.0       1.1
         169.0       2.4
         170.0       1.1
         171.0       3.8
         172.0       2.1
         173.0       9.0
         174.0      24.4
         175.0      10.1
         176.0       2.6
         177.0       3.9
         178.0       1.7
         179.0       4.3
         180.0       1.3
         181.0       1.4
         183.0       2.5
         184.0       1.2
         185.0       4.3
         186.0       1.7
         187.0      17.3
         188.0       4.5
         189.0       3.1
         190.0       1.6
         191.0       4.9
         192.0      27.2
         193.0       7.8
         194.0       2.1
         195.0       2.6
         196.0       1.2
         197.0       2.1
         198.0       1.2
         199.0       3.8
         200.0       1.5
         201.0       4.6
         202.0       1.4
         203.0       1.7
         205.0      11.1
         206.0       5.0
         207.0       2.4
         209.0       2.9
         210.0       1.4
         211.0       2.5
         212.0       1.3
         213.0       4.6
         214.0       1.9
         215.0       2.8
         216.0       1.2
         217.0       1.6
         219.0       3.9
         220.0       2.0
         225.0       1.4
         226.0       1.1
         227.0       5.3
         228.0       2.5
         229.0       4.2
         230.0       1.6
         231.0       1.7
         232.0       1.8
         233.0       2.4
         241.0       3.1
         242.0       2.4
         243.0       1.5
         244.0       1.1
         245.0       7.5
         246.0       4.2
         247.0       6.6
         248.0       2.3
         251.0       1.6
         253.0       1.2
         255.0       1.8
         259.0       2.5
         260.0       4.0
         261.0       1.6
         269.0       8.2
         270.0       2.3
         271.0       1.2
         273.0       1.3
         274.0       1.5
         275.0       2.4
         285.0       1.0
         286.0       1.0
         287.0      14.2
         288.0       4.1
         297.0       1.3
         315.0       2.0
         340.0       1.5
         341.0       2.3
         342.0       3.8
         343.0       3.7
         344.0       1.1
         349.0       1.0
         366.0       2.0
         367.0      19.5
         368.0       6.1
         369.0       1.2
         380.0       1.1
         381.0       1.2
         382.0      23.9
         383.0       7.5
         384.0       3.2
         385.0       5.1
         386.0       1.9
         398.0       2.1
         399.0       2.1
         400.0     100.0
         401.0      29.7
         402.0       5.1
    

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KBr disc

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nujol mull

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