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Back ChemicalBook Home>CAS DataBase List>5593-20-4More Spectrum> Betamethasone 17,21-dipropionate(5593-20-4) 13C NMR

Betamethasone 17,21-dipropionate(5593-20-4) 13C NMR

Molecular FormulaC28H37FO7

Molecular Weight504.6

InChIInChI=1/C28H37FO7/c1-6-23(33)35-15-22(32)28(36-24(34)7-2)16(3)12-20-19-9-8-17-13-18(30)10-11-25(17,4)27(19,29)21(31)14-26(20,28)5/h10-11,13,16,19-21,31H,6-9,12,14-15H2,1-5H3/t16-,19-,20-,21-,25-,26-,27-,28-/s3

InChIKey CIWBQSYVNNPZIQ-NHOFSDNKNA-N

SmilesC([C@]1([C@H](C[C@@]2([H])[C@]3([H])CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C)C)OC(=O)CC)(=O)COC(=O)CC |&1:1,2,4,6,16,18,20,23,r|


  • Mass

    MS2014-05023CW      
    9-fluoro-11beta,17,21-trihydroxy-16beta-methyl-1,4-pregnadiene-3,20-dione 17,21-dipropionate
    C28H37FO7           (Mass of molecular ion:    504)
    

       Source Temperature: 255 °C
       Sample Temperature:  75 °C
       Direct, 70 eV
    

          27.0       2.3
          28.0       1.9
          29.0      30.1
          41.0       3.4
          43.0       5.6
          53.0       1.5
          55.0       3.3
          56.0       1.0
          57.0     100.0
          58.0       3.4
          65.0       1.0
          67.0       2.1
          69.0       2.1
          73.0       1.0
          74.0       1.0
          77.0       3.6
          79.0       3.1
          81.0       3.0
          87.0       4.3
          91.0       7.8
          92.0       1.8
          93.0       4.1
          94.0       1.1
          95.0       3.4
          97.0       1.0
         103.0       1.1
         105.0       3.1
         107.0       7.7
         108.0       3.0
         109.0       5.3
         110.0       1.0
         111.0       2.9
         115.0       8.1
         116.0       1.2
         117.0       2.2
         119.0       2.4
         120.0       1.7
         121.0      47.2
         122.0      29.8
         123.0       5.5
         124.0       1.4
         125.0       2.8
         127.0       1.8
         128.0       1.3
         129.0       1.5
         131.0       2.6
         132.0       1.0
         133.0       3.7
         134.0       4.3
         135.0      18.6
         136.0       4.6
         137.0       3.0
         139.0       2.0
         141.0       1.5
         143.0       1.2
         145.0       3.3
         146.0       2.0
         147.0      18.0
         148.0       2.9
         149.0       2.5
         150.0       2.3
         151.0       1.8
         152.0       2.4
         153.0       4.5
         155.0       1.3
         157.0       1.9
         158.0       1.4
         159.0       5.9
         160.0       8.0
         161.0       6.2
         162.0       1.3
         163.0       2.3
         165.0       2.7
         166.0       1.0
         167.0       1.0
         169.0       1.4
         171.0       8.3
         172.0       1.9
         173.0       5.7
         174.0       1.4
         175.0       3.0
         176.0       1.2
         177.0       5.2
         178.0       2.0
         179.0       3.0
         181.0       1.7
         183.0       1.1
         185.0       3.9
         186.0       2.9
         187.0      10.3
         188.0       2.0
         189.0       5.0
         190.0       1.1
         191.0       2.7
         193.0       2.5
         195.0       3.0
         197.0       2.0
         199.0       1.4
         201.0       1.0
         203.0       2.7
         205.0       1.6
         207.0       2.3
         208.0       2.0
         209.0       2.0
         210.0       1.0
         211.0       2.4
         212.0       1.2
         213.0       2.8
         214.0       1.0
         215.0       1.4
         217.0       1.2
         221.0       4.2
         222.0       1.5
         223.0       7.8
         224.0       2.5
         225.0       3.6
         226.0       1.4
         227.0       2.3
         233.0       1.2
         235.0       2.8
         236.0       2.8
         237.0       5.0
         238.0       3.3
         239.0       4.4
         240.0       1.8
         241.0       3.7
         242.0       1.5
         243.0       1.2
         249.0       1.5
         251.0       1.6
         253.0       3.7
         254.0       2.0
         255.0       1.8
         256.0       1.2
         257.0       1.1
         259.0       1.2
         261.0       1.0
         262.0       1.4
         263.0       1.4
         265.0       1.5
         266.0       1.1
         267.0       7.3
         268.0       2.1
         269.0       1.9
         275.0       1.3
         276.0       1.9
         277.0      30.6
         278.0       7.3
         279.0       5.0
         280.0       1.5
         281.0       1.0
         282.0       2.6
         283.0       1.3
         285.0       1.7
         293.0       2.8
         294.0       2.8
         295.0      85.8
         296.0      19.0
         297.0       8.0
         298.0       1.7
         305.0       1.0
         308.0       1.5
         309.0       1.3
         311.0       1.3
         312.0       1.3
         313.0      17.2
         314.0       4.4
         315.0      90.0
         316.0      19.5
         317.0       3.4
         318.0       1.5
         319.0       1.0
         321.0       1.2
         323.0       5.9
         324.0       1.5
         325.0       1.4
         329.0       2.0
         331.0       1.1
         333.0      12.7
         334.0       2.9
         335.0       1.5
         336.0       5.0
         337.0       1.8
         341.0       2.1
         343.0      21.1
         344.0       5.0
         345.0       1.2
         351.0       2.0
         353.0       1.1
         354.0       4.5
         355.0       1.5
         356.0       1.1
         361.0       2.3
         371.0       1.0
         374.0       2.7
         382.0       1.5
         410.0      11.6
         411.0       3.7
         412.0       1.0
         417.0       4.0
         418.0       1.1
         430.0       1.1
         484.0       9.3
         485.0       2.9
    

in CDCl3



KBr disc



nujol mull



Betamethasone 17,21-dipropionate(5593-20-4) 13C NMR Atlas of Related Products

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