572-30-5

AVICULARIN(572-30-5) ¹H NMR

Molecular FormulaC20H18O11

Molecular Weight434.35

InChIInChI=1/C20H18O11/c21-8-4-11(24)14-13(5-8)30-18(7-1-2-9(22)10(23)3-7)19(16(14)27)31-20-17(28)15(26)12(25)6-29-20/h1-5,12,15,17,20-26,28H,6H2/t12-,15-,17+,20?/s3

InChIKey PZZRDJXEMZMZFD-TTYPJOBMNA-N

SmilesC1(OC2=C(C(O)=CC(O)=C2)C(=O)C=1OC1OC[C@H](O)[C@H](O)[C@H]1O)C1C=CC(O)=C(O)C=1 |&1:17,19,21,r|

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¹HNMR

IR1

IR2

AVICULARIN(572-30-5) <sup>1</sup>H NMR
Mass

MS-KW-0676          
avicularin
C20H18O11 H2O       (Mass of molecular ion:    434)

   Source Temperature: 210 °C
   Sample Temperature: 230 °C
   Direct, 75 eV

      15.0       1.4
      17.0       5.6
      18.0      26.7
      19.0       1.7
      26.0       2.5
      27.0       5.0
      28.0      20.4
      29.0       7.6
      30.0       2.1
      31.0       3.7
      38.0       1.4
      39.0       5.7
      40.0       1.7
      41.0       4.3
      42.0       4.0
      43.0       7.9
      44.0       5.6
      45.0       2.6
      50.0       3.1
      51.0       4.4
      52.0       2.5
      53.0       5.2
      54.0       1.8
      55.0       8.6
      56.0       2.2
      57.0      11.3
      58.0       2.3
      60.0       3.1
      61.0       2.5
      62.0       1.4
      63.0       4.1
      64.0       1.0
      65.0       2.4
      66.0       2.4
      67.0       3.0
      68.0       2.2
      69.0      15.6
      70.0       1.3
      71.0       3.2
      72.0       1.2
      73.0       8.3
      74.0       1.8
      75.0       3.0
      76.0       2.4
      77.0       2.7
      78.0       1.6
      79.0       2.0
      81.0       4.8
      84.0       1.4
      85.0       2.8
      86.0       2.3
      87.0       1.8
      91.0       3.7
      92.0       1.5
      93.0       1.7
      94.0       1.1
      95.0       2.0
      96.0       2.8
      97.0       2.8
      98.0       1.3
     100.0       1.4
     101.0       1.0
     103.0       1.8
     104.0       1.0
     105.0       2.3
     107.0       1.3
     108.0       4.1
     109.0       6.7
     110.0       3.2
     111.0       1.7
     113.5       1.0
     114.0       1.3
     115.0       3.7
     119.0       1.3
     121.0       3.3
     122.0       1.7
     123.0       3.0
     124.0       2.3
     126.0       1.4
     128.0      17.4
     128.5       2.7
     133.0       2.5
     136.0       5.2
     137.0      18.3
     138.0       1.7
     142.0       9.4
     142.5       1.7
     143.0       1.1
     150.0       3.2
     151.0       2.9
     152.0       1.3
     153.0      13.6
     154.0       1.4
     161.0       1.5
     171.0       1.6
     174.0       1.3
     189.0       1.1
     193.0       1.9
     199.0       1.0
     200.0       3.0
     203.0       1.2
     204.0       1.3
     217.0       2.8
     218.0       1.2
     227.0       1.3
     228.0       6.8
     229.0       6.8
     245.0       6.9
     246.0       1.3
     256.0       1.2
     257.0       3.7
     273.0       9.6
     274.0       9.2
     275.0       1.4
     285.0       2.3
     301.0      19.5
     302.0     100.0
     303.0      17.4
     304.0       2.7