METHYL 1,2,3,4-TETRA-O-ACETYL-BETA-D-GLUCURONATE(7355-18-2) MS

Product NameMETHYL 1,2,3,4-TETRA-O-ACETYL-BETA-D-GLUCURONATE

CAS 7355-18-2

Molecular FormulaC15H20O11

Molecular Weight376.31

InChIInChI=1/C15H20O11/c1-6(16)22-10-11(23-7(2)17)13(24-8(3)18)15(25-9(4)19)26-12(10)14(20)21-5/h10-13,15H,1-5H3/t10-,11-,12-,13+,15+/s3

InChIKey DPOQCELSZBSZGX-LFBIYFKTNA-N

SmilesO([C@@H]1[C@H]([C@H](OC(=O)C)O[C@H](C(=O)OC)[C@H]1OC(=O)C)OC(=O)C)C(=O)C |&1:1,2,3,9,14,r|

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¹HNMR

IR1

IR2

METHYL 1,2,3,4-TETRA-O-ACETYL-BETA-D-GLUCURONATE(7355-18-2) MS
Mass

MS-IW-5600          
methyl 1,2,3,4-tetra-O-acetyl-beta-D-glucopyranuronate
C15H20O11           (Mass of molecular ion:    376)

   Source Temperature: 160 °C
   Sample Temperature: 150 °C
   Direct, 75 eV

      14.0       1.6
      15.0       3.0
      17.0       1.0
      18.0       4.5
      28.0       2.7
      29.0       1.3
      41.0       1.6
      42.0       8.2
      43.0     100.0
      44.0       5.1
      45.0       4.6
      55.0       1.1
      59.0       1.6
      60.0       5.3
      61.0       1.3
      71.0       3.2
      73.0       8.3
      83.0       1.2
      84.0       2.2
      85.0      10.8
      86.0       1.3
      90.0       5.5
      97.0       1.8
      98.0       4.6
      99.0       1.5
     101.0       1.7
     102.0       2.7
     103.0      13.3
     112.0       5.7
     113.0       8.2
     114.0       1.8
     115.0      48.2
     116.0       4.9
     118.0       3.7
     123.0       1.1
     126.0       4.1
     127.0      10.3
     128.0       1.0
     131.0       2.4
     132.0       2.3
     143.0      10.7
     144.0      36.6
     145.0      10.2
     154.0       1.3
     155.0      19.1
     156.0       1.9
     157.0      41.9
     158.0       4.1
     169.0      14.8
     170.0       1.2
     171.0       1.3
     172.0       2.3
     173.0       4.3
     185.0       1.1
     186.0      24.5
     187.0       2.5
     189.0       1.5
     197.0       5.7
     203.0       2.1
     214.0       3.7
     215.0      12.8
     216.0       1.2
     228.0      19.6
     229.0       4.1
     231.0       1.6
     245.0       3.2
     257.0       1.6
     274.0       2.3
     317.0       2.9