NP-MRD: Showing NP-Card for (2r,3r)-4-[(1e)-2-[4-(acetyloxy)phenyl]ethenyl]-2-[3,4-bis(acetyloxy)phenyl]-3-[3,5-bis(acetyloxy)phenyl]-2,3-dihydro-1-benzofuran-6-yl acetate (NP0269213)

Jump To Section:

Identification Spectra BioTaxonomy ChemoTaxonomy Physical properties Links References XML

Record Information

Version

2.0

Created at

2022-09-08 14:35:50 UTC

Updated at

2022-09-08 14:35:51 UTC

NP-MRD ID

NP0269213

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(2r,3r)-4-[(1e)-2-[4-(acetyloxy)phenyl]ethenyl]-2-[3,4-bis(acetyloxy)phenyl]-3-[3,5-bis(acetyloxy)phenyl]-2,3-dihydro-1-benzofuran-6-yl acetate

Description

(2R,3R)-4-[(E)-2-[4-(acetyloxy)phenyl]ethenyl]-2-[3,4-bis(acetyloxy)phenyl]-3-[3,5-bis(acetyloxy)phenyl]-2,3-dihydro-1-benzofuran-6-yl acetate belongs to the class of organic compounds known as 2-arylbenzofuran flavonoids. These are phenylpropanoids containing the 2-phenylbenzofuran moiety. (2r,3r)-4-[(1e)-2-[4-(acetyloxy)phenyl]ethenyl]-2-[3,4-bis(acetyloxy)phenyl]-3-[3,5-bis(acetyloxy)phenyl]-2,3-dihydro-1-benzofuran-6-yl acetate is found in Maackia amurensis. Based on a literature review very few articles have been published on (2R,3R)-4-[(E)-2-[4-(acetyloxy)phenyl]ethenyl]-2-[3,4-bis(acetyloxy)phenyl]-3-[3,5-bis(acetyloxy)phenyl]-2,3-dihydro-1-benzofuran-6-yl acetate.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309082216352D          

 53 57  0  0  1  0            999 V2000
    3.2789    7.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2789    6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5645    5.7750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9934    5.7750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9934    4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7079    4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7079    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9934    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9934    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2789    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2789    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9934    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9934    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7079   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4223   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4223    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1368   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2789   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5645    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5645    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7798    1.0799    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.5249    1.8646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7179    2.0361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4630    2.8207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3440    2.9922    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5989    3.7769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4059    3.9484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0469    4.3900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0150    3.4338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8220    3.2623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3740    3.8754    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1191    4.6600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3121    4.8315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6711    5.2731    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0769    2.4777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2949    0.4125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.4699    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0574   -0.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7676   -0.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1801    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0051    0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4176   -0.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0051   -1.0164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2426   -0.3020    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7676    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1801    1.8414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0051    1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4176    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4176    2.5559    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0574    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7798   -0.2549    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2789    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2789    4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  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
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 13 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 11 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  6  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  2  0  0  0  0
 24 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 32 34  2  0  0  0  0
 30 35  2  0  0  0  0
 22 35  1  0  0  0  0
 21 36  1  0  0  0  0
 36 37  1  1  0  0  0
 37 38  2  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  1  0  0  0  0
 42 43  1  0  0  0  0
 42 44  2  0  0  0  0
 40 45  1  0  0  0  0
 45 46  1  0  0  0  0
 46 47  1  0  0  0  0
 47 48  1  0  0  0  0
 47 49  2  0  0  0  0
 45 50  2  0  0  0  0
 37 50  1  0  0  0  0
 36 51  1  0  0  0  0
 19 51  1  0  0  0  0
  8 52  1  0  0  0  0
 52 53  2  0  0  0  0
  5 53  1  0  0  0  0
M  END

     RDKit          3D

 87 91  0  0  0  0  0  0  0  0999 V2000
    9.5641    1.0233    3.9552 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3631    0.7581    3.1270 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1381    1.5326    2.1789 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4820   -0.2925    3.3431 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3761   -0.4280    2.4751 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4649   -1.1589    1.3193 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3818   -1.2781    0.4900 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1656   -0.6879    0.7546 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0854   -0.8699   -0.2037 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8788   -0.3739   -0.0791 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7939   -0.5685   -1.0622 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9490   -1.2949   -2.2167 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0844   -1.4536   -3.1404 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1271   -2.2002   -4.2951 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1649   -3.5557   -4.2859 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0252   -4.4408   -5.4577 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6187   -4.0461   -3.2046 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2853   -0.8500   -2.8531 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4941   -0.0997   -1.6903 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4424    0.0225   -0.8181 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9408    0.8506    0.3160 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.5956    2.2735    0.1277 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6992    2.9150   -1.0891 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3700    4.2643   -1.2156 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4650    4.9283   -2.4357 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6174    4.9629   -3.3194 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6020    5.6406   -4.6315 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6624    4.3754   -2.9564 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0628    4.9617   -0.1096 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1763    4.3501    1.1165 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6075    5.0033    2.2737 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3447    5.5835    3.0665 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0209    6.3165    4.3360 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5434    5.5128    2.7376 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1590    3.0084    1.2001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4066    0.6851    0.2065 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.9749   -0.5486    0.7745 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4040   -1.3585    1.7080 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0366   -2.4919    2.1660 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2905   -2.8772    1.7059 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8883   -4.0317    2.2003 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6279   -5.2338    1.5730 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1920   -6.5377    1.9897 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8540   -5.2206    0.5733 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8629   -2.0540    0.7627 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1114   -2.3877    0.2682 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3359   -3.1256   -0.8782 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7539   -3.3808   -1.2455 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3585   -3.5323   -1.5340 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2369   -0.9202    0.3008 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5873    0.5881   -1.1939 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0606    0.0490    1.9116 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1668    0.1680    2.7556 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6686    2.1343    4.0295 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4809    0.6237    3.4826 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4964    0.5428    4.9470 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3953   -1.6372    1.0718 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5044   -1.8851   -0.4252 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2855   -1.4609   -1.0883 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6791    0.2114    0.8057 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8925   -1.7707   -2.4374 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2541   -3.8252   -6.3592 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8257   -5.1383   -5.6063 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9184   -5.0656   -5.2625 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1216   -0.9485   -3.5422 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5116    0.5212    1.2820 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0407    2.3526   -1.9410 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2755    5.0889   -5.3498 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0319    6.6691   -4.4736 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4075    5.7449   -5.0640 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3278    6.0192   -0.1608 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9360    5.9308    4.7016 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7857    6.1409    5.1125 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0198    7.4083    4.1512 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0618    2.5365    2.1854 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9806    1.5984    0.5319 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4370   -1.0895    2.0863 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5885   -3.1492    2.9133 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7639   -6.4843    2.9195 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4278   -7.3472    1.9934 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9191   -6.8460    1.1933 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1811   -4.2128   -0.6266 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3845   -2.4911   -1.0084 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8202   -3.6006   -2.3194 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7422   -0.3204   -0.4379 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1378    0.5266    2.1558 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0948    0.7484    3.6813 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 15 17  2  0
 13 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 36  1  0
 36 51  1  0
 36 37  1  0
 37 38  2  0
 38 39  1  0
 39 40  2  0
 40 41  1  0
 41 42  1  0
 42 43  1  0
 42 44  2  0
 40 45  1  0
 45 46  1  0
 46 47  1  0
 47 48  1  0
 47 49  2  0
 45 50  2  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 26 28  2  0
 24 29  2  0
 29 30  1  0
 30 31  1  0
 31 32  1  0
 32 33  1  0
 32 34  2  0
 30 35  2  0
  8 52  1  0
 52 53  2  0
 53  5  1  0
 20 11  1  0
 50 37  1  0
 35 22  1  0
 51 19  1  0
  1 54  1  0
  1 55  1  0
  1 56  1  0
  6 57  1  0
  7 58  1  0
  9 59  1  0
 10 60  1  0
 12 61  1  0
 16 62  1  0
 16 63  1  0
 16 64  1  0
 18 65  1  0
 21 66  1  1
 36 76  1  1
 38 77  1  0
 39 78  1  0
 43 79  1  0
 43 80  1  0
 43 81  1  0
 48 82  1  0
 48 83  1  0
 48 84  1  0
 50 85  1  0
 23 67  1  0
 27 68  1  0
 27 69  1  0
 27 70  1  0
 29 71  1  0
 33 72  1  0
 33 73  1  0
 33 74  1  0
 35 75  1  0
 52 86  1  0
 53 87  1  0
M  END


  Mrv1652309082216352D          

 53 57  0  0  1  0            999 V2000
    3.2789    7.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2789    6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5645    5.7750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9934    5.7750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9934    4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7079    4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7079    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9934    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9934    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2789    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2789    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9934    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9934    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7079   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4223   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4223    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1368   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2789   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5645    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5645    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7798    1.0799    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.5249    1.8646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7179    2.0361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4630    2.8207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3440    2.9922    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5989    3.7769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4059    3.9484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0469    4.3900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0150    3.4338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8220    3.2623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3740    3.8754    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1191    4.6600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3121    4.8315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6711    5.2731    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0769    2.4777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2949    0.4125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.4699    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0574   -0.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7676   -0.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1801    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0051    0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4176   -0.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0051   -1.0164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2426   -0.3020    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7676    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1801    1.8414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0051    1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4176    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4176    2.5559    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0574    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7798   -0.2549    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2789    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2789    4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  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
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 13 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 11 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  6  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  2  0  0  0  0
 24 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 32 34  2  0  0  0  0
 30 35  2  0  0  0  0
 22 35  1  0  0  0  0
 21 36  1  0  0  0  0
 36 37  1  1  0  0  0
 37 38  2  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  1  0  0  0  0
 42 43  1  0  0  0  0
 42 44  2  0  0  0  0
 40 45  1  0  0  0  0
 45 46  1  0  0  0  0
 46 47  1  0  0  0  0
 47 48  1  0  0  0  0
 47 49  2  0  0  0  0
 45 50  2  0  0  0  0
 37 50  1  0  0  0  0
 36 51  1  0  0  0  0
 19 51  1  0  0  0  0
  8 52  1  0  0  0  0
 52 53  2  0  0  0  0
  5 53  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0269213

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC(=O)OC1=CC=C(\C=C\C2=CC(OC(C)=O)=CC3=C2[C@H]([C@@H](O3)C2=CC=C(OC(C)=O)C(OC(C)=O)=C2)C2=CC(OC(C)=O)=CC(OC(C)=O)=C2)C=C1

> <INCHI_IDENTIFIER>
InChI=1S/C40H34O13/c1-21(41)47-31-12-8-27(9-13-31)7-10-28-15-34(50-24(4)44)20-37-38(28)39(30-16-32(48-22(2)42)19-33(17-30)49-23(3)43)40(53-37)29-11-14-35(51-25(5)45)36(18-29)52-26(6)46/h7-20,39-40H,1-6H3/b10-7+/t39-,40+/m1/s1

> <INCHI_KEY>
LUHKRGIYESARFY-VGMHCTFSSA-N

> <FORMULA>
C40H34O13

> <MOLECULAR_WEIGHT>
722.699

> <EXACT_MASS>
722.199941155

> <JCHEM_ACCEPTOR_COUNT>
7

> <JCHEM_ATOM_COUNT>
87

> <JCHEM_AVERAGE_POLARIZABILITY>
75.0426962888351

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2R,3R)-4-[(E)-2-[4-(acetyloxy)phenyl]ethenyl]-2-[3,4-bis(acetyloxy)phenyl]-3-[3,5-bis(acetyloxy)phenyl]-2,3-dihydro-1-benzofuran-6-yl acetate

> <JCHEM_LOGP>
5.121886924333333

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-4.892431077992928

> <JCHEM_POLAR_SURFACE_AREA>
167.03

> <JCHEM_REFRACTIVITY>
186.9294

> <JCHEM_ROTATABLE_BOND_COUNT>
16

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(2R,3R)-4-[(E)-2-[4-(acetyloxy)phenyl]ethenyl]-2-[3,4-bis(acetyloxy)phenyl]-3-[3,5-bis(acetyloxy)phenyl]-2,3-dihydro-1-benzofuran-6-yl acetate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 08-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   08-SEP-22         0                                  
HETATM    1  C   UNK     0       6.121  13.090   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       6.121  11.550   0.000  0.00  0.00           C+0
HETATM    3  O   UNK     0       4.787  10.780   0.000  0.00  0.00           O+0
HETATM    4  O   UNK     0       7.454  10.780   0.000  0.00  0.00           O+0
HETATM    5  C   UNK     0       7.454   9.240   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       8.788   8.470   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       8.788   6.930   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       7.454   6.160   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       7.454   4.620   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       6.121   3.850   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       6.121   2.310   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       7.454   1.540   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       7.454   0.000   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0       8.788  -0.770   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0      10.122  -0.000   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      10.122   1.540   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0      11.455  -0.770   0.000  0.00  0.00           O+0
HETATM   18  C   UNK     0       6.121  -0.770   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       4.787   0.000   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       4.787   1.540   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       3.322   2.016   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       2.846   3.481   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       1.340   3.801   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       0.864   5.265   0.000  0.00  0.00           C+0
HETATM   25  O   UNK     0      -0.642   5.586   0.000  0.00  0.00           O+0
HETATM   26  C   UNK     0      -1.118   7.050   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      -2.624   7.370   0.000  0.00  0.00           C+0
HETATM   28  O   UNK     0      -0.088   8.195   0.000  0.00  0.00           O+0
HETATM   29  C   UNK     0       1.895   6.410   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       3.401   6.090   0.000  0.00  0.00           C+0
HETATM   31  O   UNK     0       4.432   7.234   0.000  0.00  0.00           O+0
HETATM   32  C   UNK     0       3.956   8.699   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0       2.449   9.019   0.000  0.00  0.00           C+0
HETATM   34  O   UNK     0       4.986   9.843   0.000  0.00  0.00           O+0
HETATM   35  C   UNK     0       3.877   4.625   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0       2.417   0.770   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0       0.877   0.770   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0       0.107  -0.564   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0      -1.433  -0.564   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0      -2.203   0.770   0.000  0.00  0.00           C+0
HETATM   41  O   UNK     0      -3.743   0.770   0.000  0.00  0.00           O+0
HETATM   42  C   UNK     0      -4.513  -0.564   0.000  0.00  0.00           C+0
HETATM   43  C   UNK     0      -3.743  -1.897   0.000  0.00  0.00           C+0
HETATM   44  O   UNK     0      -6.053  -0.564   0.000  0.00  0.00           O+0
HETATM   45  C   UNK     0      -1.433   2.104   0.000  0.00  0.00           C+0
HETATM   46  O   UNK     0      -2.203   3.437   0.000  0.00  0.00           O+0
HETATM   47  C   UNK     0      -3.743   3.437   0.000  0.00  0.00           C+0
HETATM   48  C   UNK     0      -4.513   2.104   0.000  0.00  0.00           C+0
HETATM   49  O   UNK     0      -4.513   4.771   0.000  0.00  0.00           O+0
HETATM   50  C   UNK     0       0.107   2.104   0.000  0.00  0.00           C+0
HETATM   51  O   UNK     0       3.322  -0.476   0.000  0.00  0.00           O+0
HETATM   52  C   UNK     0       6.121   6.930   0.000  0.00  0.00           C+0
HETATM   53  C   UNK     0       6.121   8.470   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   53                                                  
CONECT    6    5    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9   52                                                  
CONECT    9    8   10                                                       
CONECT   10    9   11                                                       
CONECT   11   10   12   20                                                  
CONECT   12   11   13                                                       
CONECT   13   12   14   18                                                  
CONECT   14   13   15                                                       
CONECT   15   14   16   17                                                  
CONECT   16   15                                                            
CONECT   17   15                                                            
CONECT   18   13   19                                                       
CONECT   19   18   20   51                                                  
CONECT   20   19   11   21                                                  
CONECT   21   20   22   36                                                  
CONECT   22   21   23   35                                                  
CONECT   23   22   24                                                       
CONECT   24   23   25   29                                                  
CONECT   25   24   26                                                       
CONECT   26   25   27   28                                                  
CONECT   27   26                                                            
CONECT   28   26                                                            
CONECT   29   24   30                                                       
CONECT   30   29   31   35                                                  
CONECT   31   30   32                                                       
CONECT   32   31   33   34                                                  
CONECT   33   32                                                            
CONECT   34   32                                                            
CONECT   35   30   22                                                       
CONECT   36   21   37   51                                                  
CONECT   37   36   38   50                                                  
CONECT   38   37   39                                                       
CONECT   39   38   40                                                       
CONECT   40   39   41   45                                                  
CONECT   41   40   42                                                       
CONECT   42   41   43   44                                                  
CONECT   43   42                                                            
CONECT   44   42                                                            
CONECT   45   40   46   50                                                  
CONECT   46   45   47                                                       
CONECT   47   46   48   49                                                  
CONECT   48   47                                                            
CONECT   49   47                                                            
CONECT   50   45   37                                                       
CONECT   51   36   19                                                       
CONECT   52    8   53                                                       
CONECT   53   52    5                                                       
MASTER        0    0    0    0    0    0    0    0   53    0  114    0
END

View in JSmol

Synonyms

Value	Source
(2R,3R)-4-[(e)-2-[4-(Acetyloxy)phenyl]ethenyl]-2-[3,4-bis(acetyloxy)phenyl]-3-[3,5-bis(acetyloxy)phenyl]-2,3-dihydro-1-benzofuran-6-yl acetic acid	Generator

Chemical Formula

C₄₀H₃₄O₁₃

Average Mass

722.6990 Da

Monoisotopic Mass

722.19994 Da

IUPAC Name

(2R,3R)-4-[(E)-2-[4-(acetyloxy)phenyl]ethenyl]-2-[3,4-bis(acetyloxy)phenyl]-3-[3,5-bis(acetyloxy)phenyl]-2,3-dihydro-1-benzofuran-6-yl acetate

Traditional Name

(2R,3R)-4-[(E)-2-[4-(acetyloxy)phenyl]ethenyl]-2-[3,4-bis(acetyloxy)phenyl]-3-[3,5-bis(acetyloxy)phenyl]-2,3-dihydro-1-benzofuran-6-yl acetate

CAS Registry Number

Not Available

SMILES

CC(=O)OC1=CC=C(\C=C\C2=CC(OC(C)=O)=CC3=C2[C@H]([C@@H](O3)C2=CC=C(OC(C)=O)C(OC(C)=O)=C2)C2=CC(OC(C)=O)=CC(OC(C)=O)=C2)C=C1

InChI Identifier

InChI=1S/C40H34O13/c1-21(41)47-31-12-8-27(9-13-31)7-10-28-15-34(50-24(4)44)20-37-38(28)39(30-16-32(48-22(2)42)19-33(17-30)49-23(3)43)40(53-37)29-11-14-35(51-25(5)45)36(18-29)52-26(6)46/h7-20,39-40H,1-6H3/b10-7+/t39-,40+/m1/s1

InChI Key

LUHKRGIYESARFY-VGMHCTFSSA-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
Maackia amurensis	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as 2-arylbenzofuran flavonoids. These are phenylpropanoids containing the 2-phenylbenzofuran moiety.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

2-arylbenzofuran flavonoids

Sub Class

Not Available

Direct Parent

2-arylbenzofuran flavonoids

Alternative Parents

Substituents

2-arylbenzofuran flavonoid
Hexacarboxylic acid or derivatives
1-phenylcoumaran
Stilbene
Phenol ester
Coumaran
Phenoxy compound
Styrene
Alkyl aryl ether
Monocyclic benzene moiety
Benzenoid
Carboxylic acid ester
Oxacycle
Ether
Carboxylic acid derivative
Organoheterocyclic compound
Organooxygen compound
Hydrocarbon derivative
Organic oxygen compound
Carbonyl group
Organic oxide
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic 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	5.12	ChemAxon
pKa (Strongest Basic)	-4.9	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	7	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	167.03 Å²	ChemAxon
Rotatable Bond Count	16	ChemAxon
Refractivity	186.93 m³·mol⁻¹	ChemAxon
Polarizability	75.04 Å³	ChemAxon
Number of Rings	5	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

163188119

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for (2r,3r)-4-[(1e)-2-[4-(acetyloxy)phenyl]ethenyl]-2-[3,4-bis(acetyloxy)phenyl]-3-[3,5-bis(acetyloxy)phenyl]-2,3-dihydro-1-benzofuran-6-yl acetate (NP0269213)

MOL for NP0269213 ((2r,3r)-4-[(1e)-2-[4-(acetyloxy)phenyl]ethenyl]-2-[3,4-bis(acetyloxy)phenyl]-3-[3,5-bis(acetyloxy)phenyl]-2,3-dihydro-1-benzofuran-6-yl acetate)

3D MOL for NP0269213 ((2r,3r)-4-[(1e)-2-[4-(acetyloxy)phenyl]ethenyl]-2-[3,4-bis(acetyloxy)phenyl]-3-[3,5-bis(acetyloxy)phenyl]-2,3-dihydro-1-benzofuran-6-yl acetate)

3D SDF for NP0269213 ((2r,3r)-4-[(1e)-2-[4-(acetyloxy)phenyl]ethenyl]-2-[3,4-bis(acetyloxy)phenyl]-3-[3,5-bis(acetyloxy)phenyl]-2,3-dihydro-1-benzofuran-6-yl acetate)

3D-SDF for NP0269213 ((2r,3r)-4-[(1e)-2-[4-(acetyloxy)phenyl]ethenyl]-2-[3,4-bis(acetyloxy)phenyl]-3-[3,5-bis(acetyloxy)phenyl]-2,3-dihydro-1-benzofuran-6-yl acetate)

PDB for NP0269213 ((2r,3r)-4-[(1e)-2-[4-(acetyloxy)phenyl]ethenyl]-2-[3,4-bis(acetyloxy)phenyl]-3-[3,5-bis(acetyloxy)phenyl]-2,3-dihydro-1-benzofuran-6-yl acetate)

3D PDB for NP0269213 ((2r,3r)-4-[(1e)-2-[4-(acetyloxy)phenyl]ethenyl]-2-[3,4-bis(acetyloxy)phenyl]-3-[3,5-bis(acetyloxy)phenyl]-2,3-dihydro-1-benzofuran-6-yl acetate)

SMILES for NP0269213 ((2r,3r)-4-[(1e)-2-[4-(acetyloxy)phenyl]ethenyl]-2-[3,4-bis(acetyloxy)phenyl]-3-[3,5-bis(acetyloxy)phenyl]-2,3-dihydro-1-benzofuran-6-yl acetate)

INCHI for NP0269213 ((2r,3r)-4-[(1e)-2-[4-(acetyloxy)phenyl]ethenyl]-2-[3,4-bis(acetyloxy)phenyl]-3-[3,5-bis(acetyloxy)phenyl]-2,3-dihydro-1-benzofuran-6-yl acetate)

Structure for NP0269213 ((2r,3r)-4-[(1e)-2-[4-(acetyloxy)phenyl]ethenyl]-2-[3,4-bis(acetyloxy)phenyl]-3-[3,5-bis(acetyloxy)phenyl]-2,3-dihydro-1-benzofuran-6-yl acetate)

3D Structure for NP0269213 ((2r,3r)-4-[(1e)-2-[4-(acetyloxy)phenyl]ethenyl]-2-[3,4-bis(acetyloxy)phenyl]-3-[3,5-bis(acetyloxy)phenyl]-2,3-dihydro-1-benzofuran-6-yl acetate)