520-26-3

橙皮甙(520-26-3)红外图谱(IR1)

分子式:C28H34O15

分子量: 610.56

InChI:InChI=1/C28H34O15/c1-10-21(32)23(34)25(36)27(40-10)39-9-19-22(33)24(35)26(37)28(43-19)41-12-6-14(30)20-15(31)8-17(42-18(20)7-12)11-3-4-16(38-2)13(29)5-11/h3-7,10,17,19,21-30,32-37H,8-9H2,1-2H3/t10-,17-,19+,21-,22+,23+,24-,25+,26+,27+,28+/s3

InChIKey: QUQPHWDTPGMPEX-VVKVJIKKNA-N

Smiles:C12C(O)=CC(O[C@H]3[C@H](O)[C@H]([C@H](O)[C@@H](CO[C@@H]4O[C@H]([C@H](O)[C@@H](O)[C@H]4O)C)O3)O)=CC=1O[C@H](C1=CC=C(OC)C(O)=C1)CC2=O |&1:6,7,9,10,12,15,17,18,20,22,30,r|

Mass

MS-IW-3979          
hesperidin
C28H34O15           (Mass of molecular ion:    610)

   Source Temperature: 200 °C
   Sample Temperature: 260 °C
   Direct, 75 eV

      15.0       2.6
      17.0       3.8
      18.0      19.3
      19.0       2.3
      26.0       1.0
      27.0       4.8
      28.0       6.4
      29.0       7.9
      30.0       1.6
      31.0       8.6
      32.0       1.2
      39.0       6.1
      40.0       1.3
      41.0       9.4
      42.0       5.3
      43.0      24.4
      44.0       9.0
      45.0      12.1
      47.0       1.2
      50.0       1.5
      51.0       3.0
      52.0       1.9
      53.0       3.9
      54.0       1.8
      55.0       9.3
      56.0       5.0
      57.0      15.5
      58.0      10.7
      59.0       5.8
      60.0      28.3
      61.0       6.9
      63.0       1.7
      65.0       2.6
      66.0       1.0
      67.0       2.6
      68.0       1.7
      69.0      13.2
      70.0       3.2
      71.0      18.1
      72.0       3.4
      73.0      21.9
      74.0       4.4
      75.0       4.4
      77.0       6.2
      78.0       3.2
      79.0       3.1
      80.0       1.1
      81.0       3.3
      82.0       1.9
      83.0       4.3
      84.0       3.8
      85.0      22.0
      86.0       2.8
      87.0       6.3
      88.0       1.0
      89.0       5.6
      90.0       1.3
      91.0       4.4
      93.0       1.0
      94.0       1.2
      95.0       1.7
      96.0       3.3
      97.0       3.7
      98.0       2.4
      99.0       4.8
     100.0       3.6
     101.0       3.1
     102.0       3.7
     103.0       3.8
     105.0       1.6
     106.0       1.0
     107.0       9.2
     108.0       2.1
     109.0       3.4
     110.0       2.3
     111.0       4.5
     112.0       1.2
     113.0       3.8
     114.0       1.9
     115.0       3.2
     116.0       1.0
     117.0       3.0
     118.0       1.1
     119.0       3.6
     120.0       2.9
     121.0       3.9
     122.0       1.6
     123.0       4.2
     124.0      12.9
     125.0       1.7
     126.0       4.0
     127.0       8.9
     128.0       6.0
     129.0      11.3
     130.0       9.9
     130.5       1.3
     131.0       2.6
     132.0       1.4
     133.0       2.2
     134.0       3.8
     135.0      41.3
     136.0       6.8
     137.0     100.0
     138.0       9.4
     139.0       1.7
     143.0       1.1
     144.0       3.9
     145.0       7.4
     146.0       3.0
     147.0      11.2
     148.0       2.4
     149.0       3.6
     150.0      63.4
     151.0      10.1
     152.0       6.5
     153.0      47.1
     154.0       4.1
     155.0       1.6
     157.0       1.5
     161.0       1.1
     162.0       1.4
     163.0       1.8
     165.0       4.5
     166.0       2.7
     173.0       6.1
     174.0       1.1
     175.0       1.7
     176.0       2.0
     177.0       3.6
     178.0       4.3
     179.0      21.8
     180.0       2.5
     186.0       1.2
     187.0       1.0
     189.0       1.2
     190.0       1.3
     191.0       6.2
     192.0       1.0
     199.0       1.1
     201.0       1.1
     203.0       1.0
     204.0       4.6
     213.0       1.2
     216.0       2.0
     217.0       2.8
     218.0       1.6
     229.0       1.3
     231.0       2.1
     241.0       1.2
     245.0       1.1
     257.0       1.5
     258.0       1.0
     259.0       6.4
     260.0       1.3
     269.0       1.3
     270.0       2.0
     271.0       3.5
     272.0       3.7
     273.0       1.7
     274.0       1.9
     284.0       3.5
     285.0       7.7
     286.0       4.9
     287.0       2.9
     300.0       3.8
     301.0      26.5
     302.0      80.8
     303.0      18.0
     304.0       3.0
     315.0       1.9
     316.0       1.0

in DMSO-d6