NP-MRD: Showing NP-Card for 4'-hydroxy-2,5-bis[(3-hydroxybutanoyl)oxy]-4-(4-hydroxyphenyl)-6-[(3-phenylpropanoyl)oxy]-[1,1'-biphenyl]-3-yl 3-hydroxybutanoate (NP0266699)

Jump To Section:

Identification Spectra BioTaxonomy ChemoTaxonomy Physical properties Links References XML

Record Information

Version

2.0

Created at

2022-09-08 11:07:42 UTC

Updated at

2022-09-08 11:07:43 UTC

NP-MRD ID

NP0266699

Secondary Accession Numbers

None

Natural Product Identification

Common Name

4'-hydroxy-2,5-bis[(3-hydroxybutanoyl)oxy]-4-(4-hydroxyphenyl)-6-[(3-phenylpropanoyl)oxy]-[1,1'-biphenyl]-3-yl 3-hydroxybutanoate

Description

4'-Hydroxy-2,6-bis[(3-hydroxybutanoyl)oxy]-4-(4-hydroxyphenyl)-5-[(3-phenylpropanoyl)oxy]-[1,1'-biphenyl]-3-yl 3-hydroxybutanoate belongs to the class of organic compounds known as p-terphenyls. These are terphenyls with a structure containing the 1,4-diphenylbenzene skeleton. 4'-hydroxy-2,5-bis[(3-hydroxybutanoyl)oxy]-4-(4-hydroxyphenyl)-6-[(3-phenylpropanoyl)oxy]-[1,1'-biphenyl]-3-yl 3-hydroxybutanoate is found in Pseudomerulius curtisii. 4'-Hydroxy-2,6-bis[(3-hydroxybutanoyl)oxy]-4-(4-hydroxyphenyl)-5-[(3-phenylpropanoyl)oxy]-[1,1'-biphenyl]-3-yl 3-hydroxybutanoate is an extremely weak basic (essentially neutral) compound (based on its pKa).

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1533004191520412D          

 52 55  0  0  0  0            999 V2000
    2.1434    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2494    0.0862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8205   -4.2112    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -6.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3428   -1.8076    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -4.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 15 20  1  0  0  0  0
  9 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
 22 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 32 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 35 37  1  0  0  0  0
 30 38  2  0  0  0  0
  8 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  2  0  0  0  0
 40 41  1  0  0  0  0
 41 42  2  0  0  0  0
 42 43  1  0  0  0  0
 42 44  1  0  0  0  0
 44 45  2  0  0  0  0
 39 45  1  0  0  0  0
 21 46  1  0  0  0  0
 46 47  2  0  0  0  0
 47 48  1  0  0  0  0
 48 49  2  0  0  0  0
 49 50  1  0  0  0  0
 49 51  1  0  0  0  0
 51 52  2  0  0  0  0
 46 52  1  0  0  0  0
M  END

     RDKit          3D

 92 95  0  0  0  0  0  0  0  0999 V2000
   -3.9321   -4.7703    4.2320 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2167   -3.7453    3.3696 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.0536   -2.6247    3.3391 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9723   -4.2774    1.9804 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2777   -3.3297    1.0933 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9841   -3.5788   -0.0994 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9178   -2.0817    1.5859 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2566   -1.1556    0.7739 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9591   -0.5895   -0.2561 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2995   -0.9796   -0.4076 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3054   -0.1193    0.0595 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9153    0.9500    0.5975 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7381   -0.3760   -0.0351 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1380   -1.6345   -0.7235 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.6522   -1.6839   -2.1704 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5522   -1.6179   -0.8019 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3622    0.3152   -1.0841 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1006    0.8710   -2.2044 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2284    0.1993   -3.4091 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9198    0.7694   -4.4377 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4964    2.0192   -4.2876 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1907    2.5903   -5.3225 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3864    2.7128   -3.1025 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6823    2.1099   -2.0824 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0190    0.6706   -0.8758 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5786    1.6114   -1.7384 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6341    2.9399   -1.3197 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1274    3.1748   -0.1690 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2086    4.0532   -2.0707 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0943    5.3285   -1.2620 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.6593    6.5275   -1.9608 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1979    5.6077   -0.8858 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7022    0.1109    0.1564 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0323    0.4486    0.3804 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1080   -0.0112   -0.3419 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8855   -0.8023   -1.3073 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4846    0.4323    0.0354 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5233   -0.1228   -0.9080 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8846    0.2893   -0.5084 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6324   -0.5171    0.3531 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8942   -0.1749    0.7567 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4446    1.0218    0.2866 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7434    1.8368   -0.5581 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4595    1.4494   -0.9446 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0783   -0.8220    1.0032 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8176   -1.4062    2.1106 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9170   -0.6360    3.2475 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5969   -1.1367    4.3408 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1626   -2.3871    4.2847 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8618   -2.9384    5.3714 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0377   -3.1192    3.1284 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3743   -2.6725    2.0131 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1729   -5.5116    4.6005 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3779   -4.2998    5.1164 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7226   -5.2732    3.6360 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2905   -3.4505    3.8955 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8495   -2.7844    2.7727 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9397   -4.6262    1.5636 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3385   -5.1975    2.1199 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2211   -0.4054    0.9847 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2927    0.4642   -0.5504 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8745   -2.5505   -0.1945 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3510   -2.3544   -2.7151 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7493   -0.6911   -2.6533 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6199   -2.0565   -2.2587 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7661   -2.2688   -1.5446 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7514   -0.7756   -3.4517 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0239    0.2558   -5.3695 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7447    3.1822   -6.0128 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8362    3.6986   -2.9741 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6077    2.6718   -1.1554 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2666    3.8738   -2.3078 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7146    4.2402   -3.0511 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6965    5.1371   -0.3303 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6950    6.2916   -3.0445 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0365    7.4236   -1.7512 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7126    6.6498   -1.6418 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2861    6.0874   -0.0468 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4849    1.5305   -0.0238 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7512    0.0461    1.0585 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4801   -1.2266   -0.9234 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3555    0.2219   -1.9565 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1583   -1.4184    0.6773 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4899   -0.8008    1.4328 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4548    1.2884    0.6141 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2015    2.7672   -0.9089 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9422    2.1267   -1.6132 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4783    0.3629    3.3188 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6793   -0.5332    5.2437 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2626   -3.4749    6.0094 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4910   -4.1073    3.0982 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2756   -3.2424    1.1127 H   0  0  0  0  0  0  0  0  0  0  0  0
 31 30  1  0
 30 32  1  0
 30 29  1  0
 29 27  1  0
 27 28  2  0
 27 26  1  0
 26 25  1  0
 25 33  2  0
 33 34  1  0
 34 35  1  0
 35 36  2  0
 35 37  1  0
 37 38  1  0
 38 39  1  0
 39 40  2  0
 40 41  1  0
 41 42  2  0
 42 43  1  0
 43 44  2  0
 33 45  1  0
 45 46  1  0
 46 47  2  0
 47 48  1  0
 48 49  2  0
 49 50  1  0
 49 51  1  0
 51 52  2  0
 45  8  2  0
  8  7  1  0
  7  5  1  0
  5  6  2  0
  5  4  1  0
  4  2  1  0
  2  1  1  0
  2  3  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  1  0
 14 15  1  0
 14 16  1  0
  9 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 21 23  1  0
 23 24  2  0
 17 25  1  0
 24 18  1  0
 44 39  1  0
 52 46  1  0
 31 75  1  0
 31 76  1  0
 31 77  1  0
 30 74  1  1
 32 78  1  0
 29 72  1  0
 29 73  1  0
 37 79  1  0
 37 80  1  0
 38 81  1  0
 38 82  1  0
 40 83  1  0
 41 84  1  0
 42 85  1  0
 43 86  1  0
 44 87  1  0
 47 88  1  0
 48 89  1  0
 50 90  1  0
 51 91  1  0
 52 92  1  0
  4 58  1  0
  4 59  1  0
  2 56  1  1
  1 53  1  0
  1 54  1  0
  1 55  1  0
  3 57  1  0
 13 60  1  0
 13 61  1  0
 14 62  1  1
 15 63  1  0
 15 64  1  0
 15 65  1  0
 16 66  1  0
 19 67  1  0
 20 68  1  0
 22 69  1  0
 23 70  1  0
 24 71  1  0
M  END


  Mrv1533004191520412D          

 52 55  0  0  0  0            999 V2000
    2.1434    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2494    0.0862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8205   -4.2112    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -6.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3428   -1.8076    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -4.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 15 20  1  0  0  0  0
  9 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
 22 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 32 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 35 37  1  0  0  0  0
 30 38  2  0  0  0  0
  8 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  2  0  0  0  0
 40 41  1  0  0  0  0
 41 42  2  0  0  0  0
 42 43  1  0  0  0  0
 42 44  1  0  0  0  0
 44 45  2  0  0  0  0
 39 45  1  0  0  0  0
 21 46  1  0  0  0  0
 46 47  2  0  0  0  0
 47 48  1  0  0  0  0
 48 49  2  0  0  0  0
 49 50  1  0  0  0  0
 49 51  1  0  0  0  0
 51 52  2  0  0  0  0
 46 52  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0266699

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC(O)CC(=O)OC1=C(OC(=O)CCC2=CC=CC=C2)C(C2=CC=C(O)C=C2)=C(OC(=O)CC(C)O)C(OC(=O)CC(C)O)=C1C1=CC=C(O)C=C1

> <INCHI_IDENTIFIER>
InChI=1S/C39H40O13/c1-22(40)19-31(46)50-37-35(27-12-16-29(44)17-13-27)39(52-33(48)21-24(3)42)38(51-32(47)20-23(2)41)34(26-10-14-28(43)15-11-26)36(37)49-30(45)18-9-25-7-5-4-6-8-25/h4-8,10-17,22-24,40-44H,9,18-21H2,1-3H3

> <INCHI_KEY>
XNQWFEHOBPPJTQ-UHFFFAOYSA-N

> <FORMULA>
C39H40O13

> <MOLECULAR_WEIGHT>
716.736

> <EXACT_MASS>
716.246891348

> <JCHEM_ACCEPTOR_COUNT>
9

> <JCHEM_ATOM_COUNT>
92

> <JCHEM_AVERAGE_POLARIZABILITY>
73.08561316860079

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
5

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2,4-bis[(3-hydroxybutanoyl)oxy]-3,6-bis(4-hydroxyphenyl)-5-[(3-phenylpropanoyl)oxy]phenyl 3-hydroxybutanoate

> <ALOGPS_LOGP>
4.00

> <JCHEM_LOGP>
4.8775374236666655

> <ALOGPS_LOGS>
-5.11

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
9.773179664244314

> <JCHEM_PKA_STRONGEST_ACIDIC>
9.16897874010059

> <JCHEM_PKA_STRONGEST_BASIC>
-2.6210007045197816

> <JCHEM_POLAR_SURFACE_AREA>
206.35

> <JCHEM_REFRACTIVITY>
186.60589999999993

> <JCHEM_ROTATABLE_BOND_COUNT>
19

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
5.57e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2,4-bis[(3-hydroxybutanoyl)oxy]-3,6-bis(4-hydroxyphenyl)-5-[(3-phenylpropanoyl)oxy]phenyl 3-hydroxybutanoate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 19-APR-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   19-APR-15         0                                  
HETATM    1  C   UNK     0       4.001   3.850   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       4.001   2.310   0.000  0.00  0.00           C+0
HETATM    3  O   UNK     0       5.335   1.540   0.000  0.00  0.00           O+0
HETATM    4  C   UNK     0       2.667   1.540   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       2.667   0.000   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0       4.199   0.161   0.000  0.00  0.00           O+0
HETATM    7  O   UNK     0       1.334  -0.770   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0       1.334  -2.310   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       0.000  -3.080   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0      -1.334  -2.310   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0      -1.334  -0.770   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0      -0.000  -0.000   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0      -2.667  -0.000   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -2.667   1.540   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      -4.001   2.310   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      -5.335   1.540   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      -6.668   2.310   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      -6.668   3.850   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      -5.335   4.620   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      -4.001   3.850   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       0.000  -4.620   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       1.334  -5.390   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0       1.334  -6.930   0.000  0.00  0.00           O+0
HETATM   24  C   UNK     0       0.000  -7.700   0.000  0.00  0.00           C+0
HETATM   25  O   UNK     0      -1.532  -7.861   0.000  0.00  0.00           O+0
HETATM   26  C   UNK     0       0.000  -9.240   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      -1.334 -10.010   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      -2.667  -9.240   0.000  0.00  0.00           C+0
HETATM   29  O   UNK     0      -1.334 -11.550   0.000  0.00  0.00           O+0
HETATM   30  C   UNK     0       2.667  -4.620   0.000  0.00  0.00           C+0
HETATM   31  O   UNK     0       4.001  -5.390   0.000  0.00  0.00           O+0
HETATM   32  C   UNK     0       5.335  -4.620   0.000  0.00  0.00           C+0
HETATM   33  O   UNK     0       6.240  -3.374   0.000  0.00  0.00           O+0
HETATM   34  C   UNK     0       6.668  -5.390   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0       8.002  -4.620   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0       9.336  -5.390   0.000  0.00  0.00           C+0
HETATM   37  O   UNK     0       8.002  -3.080   0.000  0.00  0.00           O+0
HETATM   38  C   UNK     0       2.667  -3.080   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0       4.001  -2.310   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0       4.001  -0.770   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0       5.335   0.000   0.000  0.00  0.00           C+0
HETATM   42  C   UNK     0       6.668  -0.770   0.000  0.00  0.00           C+0
HETATM   43  O   UNK     0       8.002  -0.000   0.000  0.00  0.00           O+0
HETATM   44  C   UNK     0       6.668  -2.310   0.000  0.00  0.00           C+0
HETATM   45  C   UNK     0       5.335  -3.080   0.000  0.00  0.00           C+0
HETATM   46  C   UNK     0      -1.334  -5.390   0.000  0.00  0.00           C+0
HETATM   47  C   UNK     0      -1.334  -6.930   0.000  0.00  0.00           C+0
HETATM   48  C   UNK     0      -2.667  -7.700   0.000  0.00  0.00           C+0
HETATM   49  C   UNK     0      -4.001  -6.930   0.000  0.00  0.00           C+0
HETATM   50  O   UNK     0      -5.335  -7.700   0.000  0.00  0.00           O+0
HETATM   51  C   UNK     0      -4.001  -5.390   0.000  0.00  0.00           C+0
HETATM   52  C   UNK     0      -2.667  -4.620   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3    4                                                  
CONECT    3    2                                                            
CONECT    4    2    5                                                       
CONECT    5    4    6    7                                                  
CONECT    6    5                                                            
CONECT    7    5    8                                                       
CONECT    8    7    9   38                                                  
CONECT    9    8   10   21                                                  
CONECT   10    9   11                                                       
CONECT   11   10   12   13                                                  
CONECT   12   11                                                            
CONECT   13   11   14                                                       
CONECT   14   13   15                                                       
CONECT   15   14   16   20                                                  
CONECT   16   15   17                                                       
CONECT   17   16   18                                                       
CONECT   18   17   19                                                       
CONECT   19   18   20                                                       
CONECT   20   19   15                                                       
CONECT   21    9   22   46                                                  
CONECT   22   21   23   30                                                  
CONECT   23   22   24                                                       
CONECT   24   23   25   26                                                  
CONECT   25   24                                                            
CONECT   26   24   27                                                       
CONECT   27   26   28   29                                                  
CONECT   28   27                                                            
CONECT   29   27                                                            
CONECT   30   22   31   38                                                  
CONECT   31   30   32                                                       
CONECT   32   31   33   34                                                  
CONECT   33   32                                                            
CONECT   34   32   35                                                       
CONECT   35   34   36   37                                                  
CONECT   36   35                                                            
CONECT   37   35                                                            
CONECT   38   30    8   39                                                  
CONECT   39   38   40   45                                                  
CONECT   40   39   41                                                       
CONECT   41   40   42                                                       
CONECT   42   41   43   44                                                  
CONECT   43   42                                                            
CONECT   44   42   45                                                       
CONECT   45   44   39                                                       
CONECT   46   21   47   52                                                  
CONECT   47   46   48                                                       
CONECT   48   47   49                                                       
CONECT   49   48   50   51                                                  
CONECT   50   49                                                            
CONECT   51   49   52                                                       
CONECT   52   51   46                                                       
MASTER        0    0    0    0    0    0    0    0   52    0  110    0
END

View in JSmol

Synonyms

Value	Source
4'-Hydroxy-2,6-bis[(3-hydroxybutanoyl)oxy]-4-(4-hydroxyphenyl)-5-[(3-phenylpropanoyl)oxy]-[1,1'-biphenyl]-3-yl 3-hydroxybutanoic acid	Generator

Chemical Formula

C₃₉H₄₀O₁₃

Average Mass

716.7360 Da

Monoisotopic Mass

716.24689 Da

IUPAC Name

2,4-bis[(3-hydroxybutanoyl)oxy]-3,6-bis(4-hydroxyphenyl)-5-[(3-phenylpropanoyl)oxy]phenyl 3-hydroxybutanoate

Traditional Name

2,4-bis[(3-hydroxybutanoyl)oxy]-3,6-bis(4-hydroxyphenyl)-5-[(3-phenylpropanoyl)oxy]phenyl 3-hydroxybutanoate

CAS Registry Number

Not Available

SMILES

CC(O)CC(=O)OC1=C(OC(=O)CCC2=CC=CC=C2)C(C2=CC=C(O)C=C2)=C(OC(=O)CC(C)O)C(OC(=O)CC(C)O)=C1C1=CC=C(O)C=C1

InChI Identifier

InChI=1S/C39H40O13/c1-22(40)19-31(46)50-37-35(27-12-16-29(44)17-13-27)39(52-33(48)21-24(3)42)38(51-32(47)20-23(2)41)34(26-10-14-28(43)15-11-26)36(37)49-30(45)18-9-25-7-5-4-6-8-25/h4-8,10-17,22-24,40-44H,9,18-21H2,1-3H3

InChI Key

XNQWFEHOBPPJTQ-UHFFFAOYSA-N

Experimental Spectra

Not Available

Predicted Spectra

Spectrum Type	Description	Depositor ID	Depositor Organization	Depositor	Deposition Date	View
1D NMR	¹³C NMR Spectrum (1D, 25 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 252 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 101 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 126 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 176 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 201 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 226 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Pseudomerulius curtisii	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as p-terphenyls. These are terphenyls with a structure containing the 1,4-diphenylbenzene skeleton.

Kingdom

Organic compounds

Super Class

Benzenoids

Class

Benzene and substituted derivatives

Sub Class

Terphenyls

Direct Parent

P-terphenyls

Alternative Parents

Substituents

Para-terphenyl
Tetracarboxylic acid or derivatives
Biphenyl
Phenol ester
Phenoxy compound
1-hydroxy-2-unsubstituted benzenoid
Beta-hydroxy acid
Fatty acid ester
Phenol
Hydroxy acid
Fatty acyl
Carboxylic acid ester
Secondary alcohol
Carboxylic acid derivative
Organooxygen compound
Alcohol
Hydrocarbon derivative
Carbonyl group
Organic oxide
Organic oxygen compound
Aromatic homomonocyclic compound

Molecular Framework

Aromatic homomonocyclic compounds

External Descriptors

Not Available

Physical Properties

State

Not Available

Experimental Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Predicted Properties

Property	Value	Source
logP	4	ALOGPS
logP	4.88	ChemAxon
logS	-5.1	ALOGPS
pKa (Strongest Acidic)	9.17	ChemAxon
pKa (Strongest Basic)	-2.6	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	9	ChemAxon
Hydrogen Donor Count	5	ChemAxon
Polar Surface Area	206.35 Å²	ChemAxon
Rotatable Bond Count	19	ChemAxon
Refractivity	186.61 m³·mol⁻¹	ChemAxon
Polarizability	73.09 Å³	ChemAxon
Number of Rings	4	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	Yes	ChemAxon

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

73802637

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 4'-hydroxy-2,5-bis[(3-hydroxybutanoyl)oxy]-4-(4-hydroxyphenyl)-6-[(3-phenylpropanoyl)oxy]-[1,1'-biphenyl]-3-yl 3-hydroxybutanoate (NP0266699)

MOL for NP0266699 (4'-hydroxy-2,5-bis[(3-hydroxybutanoyl)oxy]-4-(4-hydroxyphenyl)-6-[(3-phenylpropanoyl)oxy]-[1,1'-biphenyl]-3-yl 3-hydroxybutanoate)

3D MOL for NP0266699 (4'-hydroxy-2,5-bis[(3-hydroxybutanoyl)oxy]-4-(4-hydroxyphenyl)-6-[(3-phenylpropanoyl)oxy]-[1,1'-biphenyl]-3-yl 3-hydroxybutanoate)

3D SDF for NP0266699 (4'-hydroxy-2,5-bis[(3-hydroxybutanoyl)oxy]-4-(4-hydroxyphenyl)-6-[(3-phenylpropanoyl)oxy]-[1,1'-biphenyl]-3-yl 3-hydroxybutanoate)

3D-SDF for NP0266699 (4'-hydroxy-2,5-bis[(3-hydroxybutanoyl)oxy]-4-(4-hydroxyphenyl)-6-[(3-phenylpropanoyl)oxy]-[1,1'-biphenyl]-3-yl 3-hydroxybutanoate)

PDB for NP0266699 (4'-hydroxy-2,5-bis[(3-hydroxybutanoyl)oxy]-4-(4-hydroxyphenyl)-6-[(3-phenylpropanoyl)oxy]-[1,1'-biphenyl]-3-yl 3-hydroxybutanoate)

3D PDB for NP0266699 (4'-hydroxy-2,5-bis[(3-hydroxybutanoyl)oxy]-4-(4-hydroxyphenyl)-6-[(3-phenylpropanoyl)oxy]-[1,1'-biphenyl]-3-yl 3-hydroxybutanoate)

SMILES for NP0266699 (4'-hydroxy-2,5-bis[(3-hydroxybutanoyl)oxy]-4-(4-hydroxyphenyl)-6-[(3-phenylpropanoyl)oxy]-[1,1'-biphenyl]-3-yl 3-hydroxybutanoate)

INCHI for NP0266699 (4'-hydroxy-2,5-bis[(3-hydroxybutanoyl)oxy]-4-(4-hydroxyphenyl)-6-[(3-phenylpropanoyl)oxy]-[1,1'-biphenyl]-3-yl 3-hydroxybutanoate)

Structure for NP0266699 (4'-hydroxy-2,5-bis[(3-hydroxybutanoyl)oxy]-4-(4-hydroxyphenyl)-6-[(3-phenylpropanoyl)oxy]-[1,1'-biphenyl]-3-yl 3-hydroxybutanoate)

3D Structure for NP0266699 (4'-hydroxy-2,5-bis[(3-hydroxybutanoyl)oxy]-4-(4-hydroxyphenyl)-6-[(3-phenylpropanoyl)oxy]-[1,1'-biphenyl]-3-yl 3-hydroxybutanoate)