NP-MRD: Showing NP-Card for 2-({4-[(11z)-18-(4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl)-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl]-3,5,5-trimethylcyclohex-3-en-1-yl}oxy)-6-methyloxane-3,4,5-triol (NP0294102)

Jump To Section:

Identification Spectra BioTaxonomy ChemoTaxonomy Physical properties Links References XML

Record Information

Version

2.0

Created at

2022-09-10 02:28:38 UTC

Updated at

2022-09-10 02:28:38 UTC

NP-MRD ID

NP0294102

Secondary Accession Numbers

None

Natural Product Identification

Common Name

2-({4-[(11z)-18-(4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl)-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl]-3,5,5-trimethylcyclohex-3-en-1-yl}oxy)-6-methyloxane-3,4,5-triol

Description

Not Available

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309102204282D          

 52 54  0  0  0  0            999 V2000
   -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 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0013   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7158    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7158    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4302   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4302   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1447   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1447   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4302   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8592   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5737   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2881   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0026   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.7171   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -11.4315   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.1460   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.4315   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.1460   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.7171   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.7171   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0026   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2881   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5737   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8592   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2465   -0.5091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4719   -0.5091    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
   -2.1434    1.2375    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
   -1.4289    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    3.3000    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
   -2.1434    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724    6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868    5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0013    6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7158    5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7158    4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4302    6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4302    7.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1447    7.4250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7158    7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0013    7.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5641    7.7121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1768    7.0413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  4  0  0  0
  3  4  2  0  0  0  0
  5  4  1  4  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  8  6  1  4  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  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  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
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 16 24  1  0  0  0  0
 24 25  1  0  0  0  0
 14 26  1  0  0  0  0
 26 27  1  0  0  0  0
 10 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
  2 30  2  0  0  0  0
 30 31  1  4  0  0  0
 31 32  2  0  0  0  0
 32 33  1  4  0  0  0
 33 34  2  0  0  0  0
 34 35  1  0  0  0  0
 36 34  1  4  0  0  0
 36 37  2  0  0  0  0
 38 37  1  4  0  0  0
 38 39  2  0  0  0  0
 39 40  1  0  0  0  0
 41 39  1  4  0  0  0
 41 42  2  0  0  0  0
 42 43  1  0  0  0  0
 43 44  2  0  0  0  0
 44 45  1  0  0  0  0
 44 46  1  0  0  0  0
 46 47  1  0  0  0  0
 47 48  1  0  0  0  0
 47 49  1  0  0  0  0
 49 50  1  0  0  0  0
 43 50  1  0  0  0  0
 50 51  1  0  0  0  0
 50 52  1  0  0  0  0
M  END

     RDKit          3D

118120  0  0  0  0  0  0  0  0999 V2000
   -8.4032   -1.3466    3.9253 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6744   -0.8862    2.5332 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5994   -0.6184    1.7386 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2753   -0.7997    2.2237 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0544   -0.8184    1.9763 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1287   -0.6758    0.9330 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4741   -0.6816   -0.5324 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7780   -0.6906    1.2041 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8394   -0.5443    0.1504 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5597   -0.5223    0.1853 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3517   -0.6287    1.2750 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0644   -0.7705    2.6944 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6688   -0.5876    1.0516 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2451   -0.4435   -0.2390 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5676   -0.3834   -0.4639 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5859   -0.4479    0.5423 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8759   -0.3906    0.2440 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8261   -0.4607    1.4050 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3323   -0.3473   -1.1035 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4709   -0.2643   -1.6669 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7891   -0.1786   -1.1103 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8719   -0.1119   -1.9126 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6501   -0.1347   -3.3665 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1866   -0.0177   -1.3339 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2939    0.0464   -2.0130 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6593    0.1447   -1.4663 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6684    0.2054   -2.3238 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3462    0.1691   -3.7766 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1014    0.3101   -1.9300 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2105    0.9710   -0.5669 C   0  0  1  0  0  0  0  0  0  0  0  0
   15.9585    2.3146   -0.6328 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.3153    0.2000    0.3499 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8705    0.1804   -0.0062 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1318    1.3585    0.6221 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3014   -1.1178    0.5937 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9626    0.0940    0.5004 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2354   -0.7055   -0.6981 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9382    1.2015    0.2059 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2713    0.9663    0.7225 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3709   -0.0610    0.8786 C   0  0  2  0  0  0  0  0  0  0  0  0
  -11.6325    0.4838    0.9192 O   0  0  0  0  0  0  0  0  0  0  0  0
  -12.3902    0.1811   -0.2148 C   0  0  2  0  0  0  0  0  0  0  0  0
  -12.6175    1.3497   -0.8863 O   0  0  0  0  0  0  0  0  0  0  0  0
  -13.8556    1.9245   -0.6432 C   0  0  2  0  0  0  0  0  0  0  0  0
  -14.0490    2.4172    0.7563 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.9786    0.9785   -1.0260 C   0  0  2  0  0  0  0  0  0  0  0  0
  -16.1833    1.6576   -0.7956 O   0  0  0  0  0  0  0  0  0  0  0  0
  -14.9010   -0.2374   -0.1764 C   0  0  1  0  0  0  0  0  0  0  0  0
  -15.6618   -1.2354   -0.8530 O   0  0  0  0  0  0  0  0  0  0  0  0
  -13.5151   -0.7543   -0.0383 C   0  0  1  0  0  0  0  0  0  0  0  0
  -13.3434   -1.8042   -0.9690 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0586   -0.7552    2.1516 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3540   -1.5614    4.4730 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8167   -2.2734    3.9238 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9186   -0.5172    4.4737 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3667   -1.0246    3.4117 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4027   -1.0389    2.9829 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8369   -1.4457   -1.0839 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3698    0.2749   -1.0155 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4743   -1.1493   -0.5574 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5528   -0.7986    2.2344 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2929   -0.4007   -0.8880 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1072   -0.3942   -0.8449 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5007   -1.7528    2.8372 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8733   -0.7692    3.3524 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6486    0.0708    3.0851 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3196   -0.6742    1.9277 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6463   -0.3538   -1.1314 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8052   -0.2747   -1.5218 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3020   -0.5494    1.6049 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2574   -0.6692    2.3578 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3393    0.5100    1.4655 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5135   -1.3063    1.2919 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4833   -0.4126   -1.8611 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4543   -0.2532   -2.7957 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9686   -0.1572   -0.0538 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0802   -1.0856   -3.5724 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0108    0.7189   -3.7066 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5385   -0.1811   -3.9895 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2323   -0.0001   -0.2447 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2196    0.0264   -3.0999 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.8664   -0.7778   -4.0931 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.7545    1.0623   -4.0772 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.2978    0.2125   -4.3395 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.5891    0.9414   -2.6969 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.5394   -0.6881   -1.9631 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.2629    0.8192   -0.2240 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.0969    2.6873   -1.5501 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.4667    0.5247    1.4173 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.6885   -0.8659    0.3529 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.9223    1.9777    1.1371 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5960    1.9385   -0.1271 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4782    1.0231    1.4432 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8053   -1.7522   -0.1686 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6256   -0.9276    1.4358 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.1248   -1.7609    1.0030 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5152   -1.7537   -0.4617 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4011   -0.7104   -1.4470 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0657   -0.2166   -1.3272 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5827    1.1001   -0.8221 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4250    2.2222    0.2358 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1672    1.1567    0.9798 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1061    1.4699    1.6631 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3094    1.5546   -0.1887 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2711   -0.7925    0.0201 H   0  0  0  0  0  0  0  0  0  0  0  0
  -11.6296   -0.3737   -0.8744 H   0  0  0  0  0  0  0  0  0  0  0  0
  -13.9422    2.8013   -1.3238 H   0  0  0  0  0  0  0  0  0  0  0  0
  -15.1233    2.4861    1.0629 H   0  0  0  0  0  0  0  0  0  0  0  0
  -13.6236    1.6805    1.4943 H   0  0  0  0  0  0  0  0  0  0  0  0
  -13.6514    3.4484    0.9320 H   0  0  0  0  0  0  0  0  0  0  0  0
  -14.9393    0.7570   -2.1145 H   0  0  0  0  0  0  0  0  0  0  0  0
  -16.9680    1.1643   -1.0768 H   0  0  0  0  0  0  0  0  0  0  0  0
  -15.4308   -0.1204    0.7947 H   0  0  0  0  0  0  0  0  0  0  0  0
  -16.2766   -0.8347   -1.5150 H   0  0  0  0  0  0  0  0  0  0  0  0
  -13.4543   -1.2493    0.9575 H   0  0  0  0  0  0  0  0  0  0  0  0
  -12.9432   -1.4058   -1.8147 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5668   -1.7700    2.2079 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5876   -0.1875    2.9755 H   0  0  0  0  0  0  0  0  0  0  0  0
 45 44  1  0
 44 43  1  0
 43 42  1  0
 42 41  1  0
 41 40  1  0
 40 52  1  0
 52  2  1  0
  2  1  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  6  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 11 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 17 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 22 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27 28  1  0
 27 29  1  0
 29 30  1  0
 30 31  1  0
 30 32  1  0
 32 33  1  0
 33 34  1  0
 33 35  1  0
  3 36  1  0
 36 37  1  0
 36 38  1  0
 36 39  1  0
 42 50  1  0
 50 51  1  0
 50 48  1  0
 48 49  1  0
 48 46  1  0
 46 47  1  0
 46 44  1  0
 39 40  1  0
 33 26  1  0
 45108  1  0
 45109  1  0
 45110  1  0
 44107  1  6
 42106  1  6
 40105  1  6
 52117  1  0
 52118  1  0
  1 53  1  0
  1 54  1  0
  1 55  1  0
  4 56  1  0
  5 57  1  0
  7 58  1  0
  7 59  1  0
  7 60  1  0
  8 61  1  0
  9 62  1  0
 10 63  1  0
 12 64  1  0
 12 65  1  0
 12 66  1  0
 13 67  1  0
 14 68  1  0
 15 69  1  0
 16 70  1  0
 18 71  1  0
 18 72  1  0
 18 73  1  0
 19 74  1  0
 20 75  1  0
 21 76  1  0
 23 77  1  0
 23 78  1  0
 23 79  1  0
 24 80  1  0
 25 81  1  0
 28 82  1  0
 28 83  1  0
 28 84  1  0
 29 85  1  0
 29 86  1  0
 30 87  1  1
 31 88  1  0
 32 89  1  0
 32 90  1  0
 34 91  1  0
 34 92  1  0
 34 93  1  0
 35 94  1  0
 35 95  1  0
 35 96  1  0
 37 97  1  0
 37 98  1  0
 37 99  1  0
 38100  1  0
 38101  1  0
 38102  1  0
 39103  1  0
 39104  1  0
 50115  1  1
 51116  1  0
 48113  1  1
 49114  1  0
 46111  1  6
 47112  1  0
M  END


  Mrv1652309102204282D          

 52 54  0  0  0  0            999 V2000
   -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 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0013   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7158    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7158    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4302   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4302   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1447   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1447   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4302   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8592   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5737   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2881   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0026   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.7171   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -11.4315   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.1460   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.4315   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.1460   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.7171   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.7171   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0026   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2881   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5737   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8592   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2465   -0.5091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4719   -0.5091    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
   -2.1434    1.2375    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
   -1.4289    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    3.3000    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
   -2.1434    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724    6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868    5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0013    6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7158    5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7158    4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4302    6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4302    7.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1447    7.4250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7158    7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0013    7.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5641    7.7121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1768    7.0413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  4  0  0  0
  3  4  2  0  0  0  0
  5  4  1  4  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  8  6  1  4  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  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  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
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 16 24  1  0  0  0  0
 24 25  1  0  0  0  0
 14 26  1  0  0  0  0
 26 27  1  0  0  0  0
 10 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
  2 30  2  0  0  0  0
 30 31  1  4  0  0  0
 31 32  2  0  0  0  0
 32 33  1  4  0  0  0
 33 34  2  0  0  0  0
 34 35  1  0  0  0  0
 36 34  1  4  0  0  0
 36 37  2  0  0  0  0
 38 37  1  4  0  0  0
 38 39  2  0  0  0  0
 39 40  1  0  0  0  0
 41 39  1  4  0  0  0
 41 42  2  0  0  0  0
 42 43  1  0  0  0  0
 43 44  2  0  0  0  0
 44 45  1  0  0  0  0
 44 46  1  0  0  0  0
 46 47  1  0  0  0  0
 47 48  1  0  0  0  0
 47 49  1  0  0  0  0
 49 50  1  0  0  0  0
 43 50  1  0  0  0  0
 50 51  1  0  0  0  0
 50 52  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0294102

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC1OC(OC2CC(C)=C(C=CC(C)=CC=CC(C)=CC=C\C=C(\C)C=CC=C(C)C=CC3=C(C)CC(O)CC3(C)C)C(C)(C)C2)C(O)C(O)C1O

> <INCHI_IDENTIFIER>
InChI=1S/C46H66O6/c1-30(18-14-20-32(3)22-24-39-34(5)26-37(47)28-45(39,8)9)16-12-13-17-31(2)19-15-21-33(4)23-25-40-35(6)27-38(29-46(40,10)11)52-44-43(50)42(49)41(48)36(7)51-44/h12-25,36-38,41-44,47-50H,26-29H2,1-11H3/b13-12?,18-14?,19-15?,24-22?,25-23?,30-16-,31-17?,32-20?,33-21?

> <INCHI_KEY>
PNUMJYSPLIEPOC-KDGZQCHRSA-N

> <FORMULA>
C46H66O6

> <MOLECULAR_WEIGHT>
715.028

> <EXACT_MASS>
714.485939845

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
118

> <JCHEM_AVERAGE_POLARIZABILITY>
87.32642469168772

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-({4-[(11Z)-18-(4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl)-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl]-3,5,5-trimethylcyclohex-3-en-1-yl}oxy)-6-methyloxane-3,4,5-triol

> <JCHEM_LOGP>
7.626718366999998

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
13.272539199649714

> <JCHEM_PKA_STRONGEST_ACIDIC>
12.224363649927927

> <JCHEM_PKA_STRONGEST_BASIC>
-1.0893268520668165

> <JCHEM_POLAR_SURFACE_AREA>
99.38000000000001

> <JCHEM_REFRACTIVITY>
225.8204000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
12

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
2-({4-[(11Z)-18-(4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl)-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl]-3,5,5-trimethylcyclohex-3-en-1-yl}oxy)-6-methyloxane-3,4,5-triol

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 10-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   10-SEP-22         0                                  
HETATM    1  C   UNK     0      -4.001  -0.770   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -5.335   0.000   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -6.668  -0.770   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -8.002   0.000   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -9.336  -0.770   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0     -10.669   0.000   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0     -10.669   1.540   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0     -12.003  -0.770   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0     -12.003  -2.310   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0     -13.337  -3.080   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0     -13.337  -4.620   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0     -12.003  -5.390   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0     -14.670  -5.390   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0     -16.004  -4.620   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0     -17.338  -5.390   0.000  0.00  0.00           O+0
HETATM   16  C   UNK     0     -18.672  -4.620   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0     -20.005  -5.390   0.000  0.00  0.00           O+0
HETATM   18  C   UNK     0     -21.339  -4.620   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0     -22.673  -5.390   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0     -21.339  -3.080   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0     -22.673  -2.310   0.000  0.00  0.00           O+0
HETATM   22  C   UNK     0     -20.005  -2.310   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0     -20.005  -0.770   0.000  0.00  0.00           O+0
HETATM   24  C   UNK     0     -18.672  -3.080   0.000  0.00  0.00           C+0
HETATM   25  O   UNK     0     -17.338  -2.310   0.000  0.00  0.00           O+0
HETATM   26  C   UNK     0     -16.004  -3.080   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0     -14.670  -2.310   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0     -15.393  -0.950   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0     -13.947  -0.950   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      -5.335   1.540   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      -4.001   2.310   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      -4.001   3.850   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      -2.667   4.620   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      -2.667   6.160   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0      -1.334   6.930   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0      -4.001   6.930   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0      -4.001   8.470   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0      -5.335   9.240   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0      -5.335  10.780   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0      -4.001  11.550   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0      -6.668  11.550   0.000  0.00  0.00           C+0
HETATM   42  C   UNK     0      -8.002  10.780   0.000  0.00  0.00           C+0
HETATM   43  C   UNK     0      -9.336  11.550   0.000  0.00  0.00           C+0
HETATM   44  C   UNK     0     -10.669  10.780   0.000  0.00  0.00           C+0
HETATM   45  C   UNK     0     -10.669   9.240   0.000  0.00  0.00           C+0
HETATM   46  C   UNK     0     -12.003  11.550   0.000  0.00  0.00           C+0
HETATM   47  C   UNK     0     -12.003  13.090   0.000  0.00  0.00           C+0
HETATM   48  O   UNK     0     -13.337  13.860   0.000  0.00  0.00           O+0
HETATM   49  C   UNK     0     -10.669  13.860   0.000  0.00  0.00           C+0
HETATM   50  C   UNK     0      -9.336  13.090   0.000  0.00  0.00           C+0
HETATM   51  C   UNK     0      -8.520  14.396   0.000  0.00  0.00           C+0
HETATM   52  C   UNK     0      -7.797  13.144   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3   30                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7    8                                                  
CONECT    7    6                                                            
CONECT    8    6    9                                                       
CONECT    9    8   10                                                       
CONECT   10    9   11   27                                                  
CONECT   11   10   12   13                                                  
CONECT   12   11                                                            
CONECT   13   11   14                                                       
CONECT   14   13   15   26                                                  
CONECT   15   14   16                                                       
CONECT   16   15   17   24                                                  
CONECT   17   16   18                                                       
CONECT   18   17   19   20                                                  
CONECT   19   18                                                            
CONECT   20   18   21   22                                                  
CONECT   21   20                                                            
CONECT   22   20   23   24                                                  
CONECT   23   22                                                            
CONECT   24   22   16   25                                                  
CONECT   25   24                                                            
CONECT   26   14   27                                                       
CONECT   27   26   10   28   29                                             
CONECT   28   27                                                            
CONECT   29   27                                                            
CONECT   30    2   31                                                       
CONECT   31   30   32                                                       
CONECT   32   31   33                                                       
CONECT   33   32   34                                                       
CONECT   34   33   35   36                                                  
CONECT   35   34                                                            
CONECT   36   34   37                                                       
CONECT   37   36   38                                                       
CONECT   38   37   39                                                       
CONECT   39   38   40   41                                                  
CONECT   40   39                                                            
CONECT   41   39   42                                                       
CONECT   42   41   43                                                       
CONECT   43   42   44   50                                                  
CONECT   44   43   45   46                                                  
CONECT   45   44                                                            
CONECT   46   44   47                                                       
CONECT   47   46   48   49                                                  
CONECT   48   47                                                            
CONECT   49   47   50                                                       
CONECT   50   49   43   51   52                                             
CONECT   51   50                                                            
CONECT   52   50                                                            
MASTER        0    0    0    0    0    0    0    0   52    0  108    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₄₆H₆₆O₆

Average Mass

715.0280 Da

Monoisotopic Mass

714.48594 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

CC1OC(OC2CC(C)=C(C=CC(C)=CC=CC(C)=CC=C\C=C(\C)C=CC=C(C)C=CC3=C(C)CC(O)CC3(C)C)C(C)(C)C2)C(O)C(O)C1O

InChI Identifier

InChI=1S/C46H66O6/c1-30(18-14-20-32(3)22-24-39-34(5)26-37(47)28-45(39,8)9)16-12-13-17-31(2)19-15-21-33(4)23-25-40-35(6)27-38(29-46(40,10)11)52-44-43(50)42(49)41(48)36(7)51-44/h12-25,36-38,41-44,47-50H,26-29H2,1-11H3/b13-12?,18-14?,19-15?,24-22?,25-23?,30-16-,31-17?,32-20?,33-21?

InChI Key

PNUMJYSPLIEPOC-KDGZQCHRSA-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

Not Available

Chemical Taxonomy

Classification

Not classified

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

External Links

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 2-({4-[(11z)-18-(4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl)-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl]-3,5,5-trimethylcyclohex-3-en-1-yl}oxy)-6-methyloxane-3,4,5-triol (NP0294102)

MOL for NP0294102 (2-({4-[(11z)-18-(4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl)-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl]-3,5,5-trimethylcyclohex-3-en-1-yl}oxy)-6-methyloxane-3,4,5-triol)

3D MOL for NP0294102 (2-({4-[(11z)-18-(4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl)-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl]-3,5,5-trimethylcyclohex-3-en-1-yl}oxy)-6-methyloxane-3,4,5-triol)

3D SDF for NP0294102 (2-({4-[(11z)-18-(4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl)-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl]-3,5,5-trimethylcyclohex-3-en-1-yl}oxy)-6-methyloxane-3,4,5-triol)

3D-SDF for NP0294102 (2-({4-[(11z)-18-(4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl)-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl]-3,5,5-trimethylcyclohex-3-en-1-yl}oxy)-6-methyloxane-3,4,5-triol)

PDB for NP0294102 (2-({4-[(11z)-18-(4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl)-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl]-3,5,5-trimethylcyclohex-3-en-1-yl}oxy)-6-methyloxane-3,4,5-triol)

3D PDB for NP0294102 (2-({4-[(11z)-18-(4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl)-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl]-3,5,5-trimethylcyclohex-3-en-1-yl}oxy)-6-methyloxane-3,4,5-triol)

SMILES for NP0294102 (2-({4-[(11z)-18-(4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl)-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl]-3,5,5-trimethylcyclohex-3-en-1-yl}oxy)-6-methyloxane-3,4,5-triol)

INCHI for NP0294102 (2-({4-[(11z)-18-(4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl)-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl]-3,5,5-trimethylcyclohex-3-en-1-yl}oxy)-6-methyloxane-3,4,5-triol)

Structure for NP0294102 (2-({4-[(11z)-18-(4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl)-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl]-3,5,5-trimethylcyclohex-3-en-1-yl}oxy)-6-methyloxane-3,4,5-triol)

3D Structure for NP0294102 (2-({4-[(11z)-18-(4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl)-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl]-3,5,5-trimethylcyclohex-3-en-1-yl}oxy)-6-methyloxane-3,4,5-triol)