60-81-1

Phlorizin(60-81-1) ¹³C NMR

Molecular FormulaC21H24O10

Molecular Weight436.41

InChIInChI=1/C21H24O10/c22-9-16-18(27)19(28)20(29)21(31-16)30-15-8-12(24)7-14(26)17(15)13(25)6-3-10-1-4-11(23)5-2-10/h1-2,4-5,7-8,16,18-24,26-29H,3,6,9H2/t16-,18-,19+,20-,21-/s3

InChIKey IOUVKUPGCMBWBT-LKLLPNDVNA-N

SmilesC(C1C(=CC(O)=CC=1O[C@H]1[C@@H]([C@@H](O)[C@H](O)[C@@H](CO)O1)O)O)(=O)CCC1C=CC(O)=CC=1 |&1:9,10,11,13,15,r|

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Phlorizin(60-81-1) <sup>13</sup>C NMR

    Assign.     Shift(ppm)

      A     *1     13.5
      B     *1     10.6
      C     *1      9.13
      D             7.048
      E             6.653
      F             6.141
      G             5.945
      J     *2      5.33
      K     *2      5.18
      L     *2      5.08
      M             4.949
      N             4.63
      P     *3      3.718
      Q     *3      3.517
      R          3.44 to 3.29
      S             3.209
      T             2.796
     
     SIGNAL R OVERLAPPED BY H2O

Spectral Code: 1H NMR : 400 MHz in DMSO-d6

Phlorizin(60-81-1) <sup>13</sup>C NMR

       ppm   Int.  Assign.

      204.63   277      1
      165.29   295      2 *
      164.34   292      3 *
      160.74   272      4
      155.16   352      5
      131.44   337      6
      129.07   880      7
      114.89  1000      8
      105.07   277      9
      100.71   314     10
       96.74   240     11 #
       94.23   261     12 #
       77.16   307     13
       76.59   312     14
       73.10   307     15
       69.35   320     16
       60.46   244     17
       44.88   281     18
       28.92   293     19

Spectral Code: 13C NMR : in DMSO-d6