NP-MRD: Showing NP-Card for 21-(furan-2-yl)henicosa-14,16-diyn-1-yl 19-(furan-2-yl)nonadeca-5,7-diynoate (NP0257737)

Jump To Section:

Identification Spectra BioTaxonomy ChemoTaxonomy Physical properties Links References XML

Record Information

Version

2.0

Created at

2022-09-07 22:56:49 UTC

Updated at

2022-09-07 22:56:49 UTC

NP-MRD ID

NP0257737

Secondary Accession Numbers

None

Natural Product Identification

Common Name

21-(furan-2-yl)henicosa-14,16-diyn-1-yl 19-(furan-2-yl)nonadeca-5,7-diynoate

Description

21-(Furan-2-yl)henicosa-14,16-diyn-1-yl 19-(furan-2-yl)nonadeca-5,7-diynoate belongs to the class of organic compounds known as fatty alcohol esters. These are ester derivatives of a fatty alcohol. 21-(furan-2-yl)henicosa-14,16-diyn-1-yl 19-(furan-2-yl)nonadeca-5,7-diynoate is found in Polyalthia evecta. 21-(Furan-2-yl)henicosa-14,16-diyn-1-yl 19-(furan-2-yl)nonadeca-5,7-diynoate is an extremely weak basic (essentially neutral) compound (based on its pKa).

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1533004161504192D          

 52 53  0  0  0  0            999 V2000
   14.1074  -12.9145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1074  -13.7395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3929  -14.1520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6784  -13.7395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9640  -14.1520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2495  -13.7395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5350  -13.3270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8205  -12.9145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1061  -12.5020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3916  -12.0895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6771  -12.5020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9627  -12.0895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2482  -12.5020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5337  -12.0895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8192  -12.5020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1048  -12.0895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3903  -12.5020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6758  -12.0895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9614  -12.5020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2469  -12.0895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5324  -12.5020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4462  -13.3225    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3608  -13.4940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7733  -12.7796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2213  -12.1665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8218  -14.1520    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.5363  -13.7395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2508  -14.1520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9653  -13.7395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6797  -14.1520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3942  -13.7395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1087  -14.1520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.8231  -13.7395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5376  -14.1520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.2521  -13.7395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.9665  -14.1520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.6810  -13.7395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.3955  -14.1520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.1100  -13.7395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.8244  -14.1520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.5389  -14.5645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.2534  -14.9770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.9678  -15.3895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.6823  -15.8020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.3968  -15.3895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.1113  -15.8020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.8257  -15.3895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.5402  -15.8020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.2939  -15.4665    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.8459  -16.0796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.4334  -16.7940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.6264  -16.6225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  3  0  0  0  0
  7  8  1  0  0  0  0
  8  9  3  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  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
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 21 25  2  0  0  0  0
  2 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  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
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
 40 41  3  0  0  0  0
 41 42  1  0  0  0  0
 42 43  3  0  0  0  0
 43 44  1  0  0  0  0
 44 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
 48 49  1  0  0  0  0
 49 50  1  0  0  0  0
 50 51  2  0  0  0  0
 51 52  1  0  0  0  0
 48 52  2  0  0  0  0
M  END

     RDKit          3D

120121  0  0  0  0  0  0  0  0999 V2000
    0.0146   -1.2318    0.5723 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7100   -0.4798   -0.1348 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0603   -0.9408   -0.5488 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2589   -2.3434   -0.0608 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6498   -2.8707   -0.4203 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6946   -2.0450    0.2288 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5487   -1.3846    0.7971 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5279   -0.6399    1.4961 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3625   -0.0043    2.1383 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3006    0.7554    2.9308 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6581    0.8347    2.3412 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.4315   -0.4171    2.1608 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9218   -1.4524    1.2575 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6591   -1.1751   -0.1551 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.7267   -0.7406   -1.0727 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.3930    0.5603   -0.8035 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.4723    0.9403   -1.8062 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.5546   -0.0779   -1.7869 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.6813    0.2746   -2.7601 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.7251   -0.8334   -2.6532 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.2555   -0.9200   -1.2806 C   0  0  0  0  0  0  0  0  0  0  0  0
  -17.3560   -0.2231   -0.8296 C   0  0  0  0  0  0  0  0  0  0  0  0
  -17.4915   -0.5988    0.4931 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.4797   -1.4853    0.7538 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.7487   -1.6647   -0.3263 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1890    0.7376   -0.4761 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1048    1.2141   -0.0745 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2078    2.6020   -0.7162 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1660    2.5510   -2.1837 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1789    1.8155   -2.9533 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5881    2.2024   -2.9699 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2846    2.1696   -1.6601 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7762    2.5920   -1.8494 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3510    2.5688   -0.4572 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7840    2.9987   -0.3679 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1952    2.9629    1.0625 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1449    1.5915    1.6499 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4939    1.6176    3.1307 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4715    0.1758    3.6289 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5337   -0.5949    2.9319 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4279   -1.1991    2.3895 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5069   -1.8739    1.7798 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4515   -2.4209    1.2711 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6417   -3.0609    0.6497 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2412   -2.0655   -0.3658 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6306   -0.7938    0.3233 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6581   -0.9640    1.4028 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9279   -1.5213    0.8685 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9999   -0.7577    0.3893 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.9809   -1.6344   -0.0133 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4888   -2.8940    0.2277 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2674   -2.7815    0.7517 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7903   -0.2299   -0.1106 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1769   -0.8470   -1.6491 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4688   -3.0423   -0.3218 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2574   -2.2796    1.0671 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7381   -3.8714    0.0669 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8154   -2.9704   -1.4916 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9209    1.8168    3.1049 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3675    0.2689    3.9494 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6387    1.3601    1.3291 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2479    1.5200    3.0386 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3386   -0.9239    3.2243 H   0  0  0  0  0  0  0  0  0  0  0  0
  -11.5365   -0.2459    2.1672 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9894   -1.9115    1.7051 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.6444   -2.3596    1.3492 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7905   -0.4695   -0.3192 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2406   -2.1445   -0.5995 H   0  0  0  0  0  0  0  0  0  0  0  0
  -11.4629   -1.5723   -1.2876 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2314   -0.6169   -2.0914 H   0  0  0  0  0  0  0  0  0  0  0  0
  -11.8572    0.6905    0.1744 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5868    1.3505   -0.9632 H   0  0  0  0  0  0  0  0  0  0  0  0
  -12.8661    1.9306   -1.4407 H   0  0  0  0  0  0  0  0  0  0  0  0
  -11.9722    1.0441   -2.7839 H   0  0  0  0  0  0  0  0  0  0  0  0
  -13.9920   -0.2413   -0.7842 H   0  0  0  0  0  0  0  0  0  0  0  0
  -13.1264   -1.0630   -2.1087 H   0  0  0  0  0  0  0  0  0  0  0  0
  -15.1479    1.2377   -2.4964 H   0  0  0  0  0  0  0  0  0  0  0  0
  -14.2374    0.3074   -3.7668 H   0  0  0  0  0  0  0  0  0  0  0  0
  -16.5037   -0.6438   -3.4197 H   0  0  0  0  0  0  0  0  0  0  0  0
  -15.2170   -1.8077   -2.8875 H   0  0  0  0  0  0  0  0  0  0  0  0
  -17.9823    0.4654   -1.3747 H   0  0  0  0  0  0  0  0  0  0  0  0
  -18.2708   -0.2284    1.1551 H   0  0  0  0  0  0  0  0  0  0  0  0
  -16.3341   -1.9546    1.7328 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8795    0.5394   -0.4297 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0874    1.2644    1.0207 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2186    3.1578   -0.4277 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9465    3.1856   -0.2042 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1158    2.2198   -2.4652 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2318    3.6400   -2.5436 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1392    0.6960   -2.7484 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8227    1.8770   -4.0491 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1526    1.4536   -3.6291 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7630    3.1830   -3.5097 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2660    1.1254   -1.2747 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9365    2.8378   -0.8825 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8358    3.5576   -2.3501 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2878    1.8166   -2.4533 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7498    3.3202    0.1295 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1548    1.5466   -0.0681 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4514    2.4310   -1.0290 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8284    4.0623   -0.7021 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2649    3.3032    1.1120 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6082    3.6648    1.6972 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1693    1.0909    1.5877 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9674    0.9935    1.1608 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5291    2.0320    3.2809 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7626    2.1912    3.7292 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5746    0.1227    4.7163 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5111   -0.2990    3.3608 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.3387   -3.9773    0.1247 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.3638   -3.3212    1.4325 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.0134   -2.5213   -0.9909 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.3833   -1.8073   -1.0555 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.0144   -0.0553   -0.4240 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.7029   -0.3601    0.7554 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.8495    0.0268    1.8735 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.2817   -1.6437    2.2026 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.9741    0.3194    0.3780 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.9416   -1.3792   -0.4340 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.9709   -3.8388    0.0409 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  3  0
  7  8  1  0
  8  9  3  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
  2 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 31 32  1  0
 32 33  1  0
 33 34  1  0
 34 35  1  0
 35 36  1  0
 36 37  1  0
 37 38  1  0
 38 39  1  0
 39 40  1  0
 40 41  3  0
 41 42  1  0
 42 43  3  0
 43 44  1  0
 44 45  1  0
 45 46  1  0
 46 47  1  0
 47 48  1  0
 48 49  2  0
 49 50  1  0
 50 51  2  0
 51 52  1  0
 25 21  1  0
 52 48  1  0
  3 53  1  0
  3 54  1  0
  4 55  1  0
  4 56  1  0
  5 57  1  0
  5 58  1  0
 10 59  1  0
 10 60  1  0
 11 61  1  0
 11 62  1  0
 12 63  1  0
 12 64  1  0
 13 65  1  0
 13 66  1  0
 14 67  1  0
 14 68  1  0
 15 69  1  0
 15 70  1  0
 16 71  1  0
 16 72  1  0
 17 73  1  0
 17 74  1  0
 18 75  1  0
 18 76  1  0
 19 77  1  0
 19 78  1  0
 20 79  1  0
 20 80  1  0
 22 81  1  0
 23 82  1  0
 24 83  1  0
 27 84  1  0
 27 85  1  0
 28 86  1  0
 28 87  1  0
 29 88  1  0
 29 89  1  0
 30 90  1  0
 30 91  1  0
 31 92  1  0
 31 93  1  0
 32 94  1  0
 32 95  1  0
 33 96  1  0
 33 97  1  0
 34 98  1  0
 34 99  1  0
 35100  1  0
 35101  1  0
 36102  1  0
 36103  1  0
 37104  1  0
 37105  1  0
 38106  1  0
 38107  1  0
 39108  1  0
 39109  1  0
 44110  1  0
 44111  1  0
 45112  1  0
 45113  1  0
 46114  1  0
 46115  1  0
 47116  1  0
 47117  1  0
 49118  1  0
 50119  1  0
 51120  1  0
M  END


  Mrv1533004161504192D          

 52 53  0  0  0  0            999 V2000
   14.1074  -12.9145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1074  -13.7395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3929  -14.1520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6784  -13.7395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9640  -14.1520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2495  -13.7395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5350  -13.3270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8205  -12.9145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1061  -12.5020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3916  -12.0895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6771  -12.5020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9627  -12.0895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2482  -12.5020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5337  -12.0895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8192  -12.5020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1048  -12.0895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3903  -12.5020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6758  -12.0895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9614  -12.5020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2469  -12.0895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5324  -12.5020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4462  -13.3225    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3608  -13.4940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7733  -12.7796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2213  -12.1665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8218  -14.1520    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.5363  -13.7395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2508  -14.1520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9653  -13.7395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6797  -14.1520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3942  -13.7395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1087  -14.1520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.8231  -13.7395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5376  -14.1520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.2521  -13.7395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.9665  -14.1520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.6810  -13.7395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.3955  -14.1520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.1100  -13.7395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.8244  -14.1520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.5389  -14.5645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.2534  -14.9770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.9678  -15.3895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.6823  -15.8020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.3968  -15.3895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.1113  -15.8020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.8257  -15.3895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.5402  -15.8020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.2939  -15.4665    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.8459  -16.0796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.4334  -16.7940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.6264  -16.6225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  3  0  0  0  0
  7  8  1  0  0  0  0
  8  9  3  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  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
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 21 25  2  0  0  0  0
  2 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  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
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
 40 41  3  0  0  0  0
 41 42  1  0  0  0  0
 42 43  3  0  0  0  0
 43 44  1  0  0  0  0
 44 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
 48 49  1  0  0  0  0
 49 50  1  0  0  0  0
 50 51  2  0  0  0  0
 51 52  1  0  0  0  0
 48 52  2  0  0  0  0
M  END
> <DATABASE_ID>
NP0257737

> <DATABASE_NAME>
NP-MRD

> <SMILES>
O=C(CCCC#CC#CCCCCCCCCCCCC1=CC=CO1)OCCCCCCCCCCCCCC#CC#CCCCCC1=CC=CO1

> <INCHI_IDENTIFIER>
InChI=1S/C48H68O4/c49-48(42-34-30-26-22-18-14-10-6-5-9-13-17-21-25-29-33-39-47-41-37-45-51-47)52-43-35-31-27-23-19-15-11-7-3-1-2-4-8-12-16-20-24-28-32-38-46-40-36-44-50-46/h36-37,40-41,44-45H,1-7,9-11,13,15,17,19,21,23-25,27-35,38-39,42-43H2

> <INCHI_KEY>
IIMUYKPOBAQTRX-UHFFFAOYSA-N

> <FORMULA>
C48H68O4

> <MOLECULAR_WEIGHT>
709.068

> <EXACT_MASS>
708.51176067

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
120

> <JCHEM_AVERAGE_POLARIZABILITY>
94.0723640481933

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
21-(furan-2-yl)henicosa-14,16-diyn-1-yl 19-(furan-2-yl)nonadeca-5,7-diynoate

> <ALOGPS_LOGP>
9.82

> <JCHEM_LOGP>
15.921999450333331

> <ALOGPS_LOGS>
-5.41

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-2.507375121899275

> <JCHEM_POLAR_SURFACE_AREA>
52.58

> <JCHEM_REFRACTIVITY>
219.67369999999997

> <JCHEM_ROTATABLE_BOND_COUNT>
38

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.78e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
21-(furan-2-yl)henicosa-14,16-diyn-1-yl 19-(furan-2-yl)nonadeca-5,7-diynoate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 16-APR-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   16-APR-15         0                                  
HETATM    1  O   UNK     0      26.334 -24.107   0.000  0.00  0.00           O+0
HETATM    2  C   UNK     0      26.334 -25.647   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      25.000 -26.417   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      23.666 -25.647   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      22.333 -26.417   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      20.999 -25.647   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      19.665 -24.877   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      18.332 -24.107   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      16.998 -23.337   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      15.664 -22.567   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      14.331 -23.337   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      12.997 -22.567   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      11.663 -23.337   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      10.330 -22.567   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       8.996 -23.337   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       7.662 -22.567   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       6.329 -23.337   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       4.995 -22.567   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       3.661 -23.337   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       2.328 -22.567   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       0.994 -23.337   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0       0.833 -24.869   0.000  0.00  0.00           O+0
HETATM   23  C   UNK     0      -0.673 -25.189   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      -1.443 -23.855   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      -0.413 -22.711   0.000  0.00  0.00           C+0
HETATM   26  O   UNK     0      27.667 -26.417   0.000  0.00  0.00           O+0
HETATM   27  C   UNK     0      29.001 -25.647   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      30.335 -26.417   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      31.668 -25.647   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      33.002 -26.417   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      34.336 -25.647   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      35.670 -26.417   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      37.003 -25.647   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      38.337 -26.417   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0      39.671 -25.647   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0      41.004 -26.417   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0      42.338 -25.647   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0      43.672 -26.417   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0      45.005 -25.647   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0      46.339 -26.417   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0      47.673 -27.187   0.000  0.00  0.00           C+0
HETATM   42  C   UNK     0      49.006 -27.957   0.000  0.00  0.00           C+0
HETATM   43  C   UNK     0      50.340 -28.727   0.000  0.00  0.00           C+0
HETATM   44  C   UNK     0      51.674 -29.497   0.000  0.00  0.00           C+0
HETATM   45  C   UNK     0      53.007 -28.727   0.000  0.00  0.00           C+0
HETATM   46  C   UNK     0      54.341 -29.497   0.000  0.00  0.00           C+0
HETATM   47  C   UNK     0      55.675 -28.727   0.000  0.00  0.00           C+0
HETATM   48  C   UNK     0      57.008 -29.497   0.000  0.00  0.00           C+0
HETATM   49  O   UNK     0      58.415 -28.871   0.000  0.00  0.00           O+0
HETATM   50  C   UNK     0      59.446 -30.015   0.000  0.00  0.00           C+0
HETATM   51  C   UNK     0      58.676 -31.349   0.000  0.00  0.00           C+0
HETATM   52  C   UNK     0      57.169 -31.029   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3   26                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9                                                       
CONECT    9    8   10                                                       
CONECT   10    9   11                                                       
CONECT   11   10   12                                                       
CONECT   12   11   13                                                       
CONECT   13   12   14                                                       
CONECT   14   13   15                                                       
CONECT   15   14   16                                                       
CONECT   16   15   17                                                       
CONECT   17   16   18                                                       
CONECT   18   17   19                                                       
CONECT   19   18   20                                                       
CONECT   20   19   21                                                       
CONECT   21   20   22   25                                                  
CONECT   22   21   23                                                       
CONECT   23   22   24                                                       
CONECT   24   23   25                                                       
CONECT   25   24   21                                                       
CONECT   26    2   27                                                       
CONECT   27   26   28                                                       
CONECT   28   27   29                                                       
CONECT   29   28   30                                                       
CONECT   30   29   31                                                       
CONECT   31   30   32                                                       
CONECT   32   31   33                                                       
CONECT   33   32   34                                                       
CONECT   34   33   35                                                       
CONECT   35   34   36                                                       
CONECT   36   35   37                                                       
CONECT   37   36   38                                                       
CONECT   38   37   39                                                       
CONECT   39   38   40                                                       
CONECT   40   39   41                                                       
CONECT   41   40   42                                                       
CONECT   42   41   43                                                       
CONECT   43   42   44                                                       
CONECT   44   43   45                                                       
CONECT   45   44   46                                                       
CONECT   46   45   47                                                       
CONECT   47   46   48                                                       
CONECT   48   47   49   52                                                  
CONECT   49   48   50                                                       
CONECT   50   49   51                                                       
CONECT   51   50   52                                                       
CONECT   52   51   48                                                       
MASTER        0    0    0    0    0    0    0    0   52    0  106    0
END

View in JSmol

Synonyms

Value	Source
21-(Furan-2-yl)henicosa-14,16-diyn-1-yl 19-(furan-2-yl)nonadeca-5,7-diynoic acid	Generator
19-(2-Furyl)nonadeca-5,7-diyneoate 21-(2-furyl)henicosa-14,16-diynyl ester	Generator

Chemical Formula

C₄₈H₆₈O₄

Average Mass

709.0680 Da

Monoisotopic Mass

708.51176 Da

IUPAC Name

21-(furan-2-yl)henicosa-14,16-diyn-1-yl 19-(furan-2-yl)nonadeca-5,7-diynoate

Traditional Name

21-(furan-2-yl)henicosa-14,16-diyn-1-yl 19-(furan-2-yl)nonadeca-5,7-diynoate

CAS Registry Number

Not Available

SMILES

O=C(CCCC#CC#CCCCCCCCCCCCC1=CC=CO1)OCCCCCCCCCCCCCC#CC#CCCCCC1=CC=CO1

InChI Identifier

InChI=1S/C48H68O4/c49-48(42-34-30-26-22-18-14-10-6-5-9-13-17-21-25-29-33-39-47-41-37-45-51-47)52-43-35-31-27-23-19-15-11-7-3-1-2-4-8-12-16-20-24-28-32-38-46-40-36-44-50-46/h36-37,40-41,44-45H,1-7,9-11,13,15,17,19,21,23-25,27-35,38-39,42-43H2

InChI Key

IIMUYKPOBAQTRX-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
Polyalthia evecta	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as fatty alcohol esters. These are ester derivatives of a fatty alcohol.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Fatty Acyls

Sub Class

Fatty alcohol esters

Direct Parent

Fatty alcohol esters

Alternative Parents

Substituents

Fatty alcohol ester
Fatty acid ester
Heteroaromatic compound
Furan
Carboxylic acid ester
Oxacycle
Organoheterocyclic compound
Monocarboxylic acid or derivatives
Carboxylic acid derivative
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
Organooxygen compound
Carbonyl group
Aromatic heteromonocyclic compound

Molecular Framework

Aromatic heteromonocyclic 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	9.82	ALOGPS
logP	15.92	ChemAxon
logS	-5.4	ALOGPS
pKa (Strongest Basic)	-2.5	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	1	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	52.58 Å²	ChemAxon
Rotatable Bond Count	38	ChemAxon
Refractivity	219.67 m³·mol⁻¹	ChemAxon
Polarizability	94.07 Å³	ChemAxon
Number of Rings	2	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	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

11614600

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 21-(furan-2-yl)henicosa-14,16-diyn-1-yl 19-(furan-2-yl)nonadeca-5,7-diynoate (NP0257737)

MOL for NP0257737 (21-(furan-2-yl)henicosa-14,16-diyn-1-yl 19-(furan-2-yl)nonadeca-5,7-diynoate)

3D MOL for NP0257737 (21-(furan-2-yl)henicosa-14,16-diyn-1-yl 19-(furan-2-yl)nonadeca-5,7-diynoate)

3D SDF for NP0257737 (21-(furan-2-yl)henicosa-14,16-diyn-1-yl 19-(furan-2-yl)nonadeca-5,7-diynoate)

3D-SDF for NP0257737 (21-(furan-2-yl)henicosa-14,16-diyn-1-yl 19-(furan-2-yl)nonadeca-5,7-diynoate)

PDB for NP0257737 (21-(furan-2-yl)henicosa-14,16-diyn-1-yl 19-(furan-2-yl)nonadeca-5,7-diynoate)

3D PDB for NP0257737 (21-(furan-2-yl)henicosa-14,16-diyn-1-yl 19-(furan-2-yl)nonadeca-5,7-diynoate)

SMILES for NP0257737 (21-(furan-2-yl)henicosa-14,16-diyn-1-yl 19-(furan-2-yl)nonadeca-5,7-diynoate)

INCHI for NP0257737 (21-(furan-2-yl)henicosa-14,16-diyn-1-yl 19-(furan-2-yl)nonadeca-5,7-diynoate)

Structure for NP0257737 (21-(furan-2-yl)henicosa-14,16-diyn-1-yl 19-(furan-2-yl)nonadeca-5,7-diynoate)

3D Structure for NP0257737 (21-(furan-2-yl)henicosa-14,16-diyn-1-yl 19-(furan-2-yl)nonadeca-5,7-diynoate)