NP-MRD: Showing NP-Card for 2-[(8e,10e,12e,14e)-15-(6-hydroxy-4,4,7a-trimethyl-2,5,6,7-tetrahydro-1-benzofuran-2-yl)-6,11-dimethylhexadeca-2,4,6,8,10,12,14-heptaen-2-yl]-4,4,7a-trimethyl-2,5,6,7-tetrahydro-1-benzofuran-6-ol (NP0172301)

Jump To Section:

Identification Spectra BioTaxonomy ChemoTaxonomy Physical properties Links References XML

Record Information

Version

2.0

Created at

2022-09-03 09:10:57 UTC

Updated at

2022-09-03 09:10:57 UTC

NP-MRD ID

NP0172301

Secondary Accession Numbers

None

Natural Product Identification

Common Name

2-[(8e,10e,12e,14e)-15-(6-hydroxy-4,4,7a-trimethyl-2,5,6,7-tetrahydro-1-benzofuran-2-yl)-6,11-dimethylhexadeca-2,4,6,8,10,12,14-heptaen-2-yl]-4,4,7a-trimethyl-2,5,6,7-tetrahydro-1-benzofuran-6-ol

Description

2-[(2E,4E,6E,8E)-15-(6-hydroxy-4,4,7a-trimethyl-2,4,5,6,7,7a-hexahydro-1-benzofuran-2-yl)-6,11-dimethylhexadeca-2,4,6,8,10,12,14-heptaen-2-yl]-4,4,7a-trimethyl-2,4,5,6,7,7a-hexahydro-1-benzofuran-6-ol belongs to the class of organic compounds known as tetraterpenoids. These are terpenoid molecules containing 10 consecutively linked isoprene units. 2-[(8e,10e,12e,14e)-15-(6-hydroxy-4,4,7a-trimethyl-2,5,6,7-tetrahydro-1-benzofuran-2-yl)-6,11-dimethylhexadeca-2,4,6,8,10,12,14-heptaen-2-yl]-4,4,7a-trimethyl-2,5,6,7-tetrahydro-1-benzofuran-6-ol is found in Citrus sinensis, Hippophae rhamnoides, Ipomoea batatas, Physalis minima, Pittosporum tobira, Rosa foetida and Viola tricolor. 2-[(2E,4E,6E,8E)-15-(6-hydroxy-4,4,7a-trimethyl-2,4,5,6,7,7a-hexahydro-1-benzofuran-2-yl)-6,11-dimethylhexadeca-2,4,6,8,10,12,14-heptaen-2-yl]-4,4,7a-trimethyl-2,4,5,6,7,7a-hexahydro-1-benzofuran-6-ol is an extremely weak basic (essentially neutral) compound (based on its pKa).

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1533004161514082D          

 44 47  0  0  0  0            999 V2000
   -3.0587    0.0165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6462    0.7310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0587    1.4455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8837    1.4455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2962    2.1599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1212    2.1599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5337    2.8744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1212    3.5889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3587    2.8744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7712    3.5889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5962    3.5889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0087    4.3034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5962    5.0178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8337    4.3034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3186    3.6359    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1032    3.8909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0170    3.0704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.8177    3.4784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.5322    3.8909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.2467    3.4784    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -11.5322    4.7159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.8177    5.1284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.3480    5.7603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2874    5.7603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1032    4.7159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3186    4.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8212    0.7310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4087    0.0165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5837    0.0165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1712   -0.6979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5837   -1.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6538   -0.6979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1387   -0.0305    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9233   -0.2854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8371    0.5350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378    0.1271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3523   -0.2854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0668    0.1271    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3523   -1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378   -1.5229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1681   -2.1549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1075   -2.1549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9233   -1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1387   -1.3654    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
  3  4  1  4  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7  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
 12 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
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 22 25  1  0  0  0  0
 16 25  1  0  0  0  0
 25 26  2  0  0  0  0
 14 26  1  0  0  0  0
 27  2  1  4  0  0  0
 27 28  2  0  0  0  0
 29 28  1  4  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 30 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
 34 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 37 39  1  0  0  0  0
 39 40  1  0  0  0  0
 40 41  1  0  0  0  0
 40 42  1  0  0  0  0
 40 43  1  0  0  0  0
 34 43  1  0  0  0  0
 43 44  2  0  0  0  0
 32 44  1  0  0  0  0
M  END

     RDKit          3D

100103  0  0  0  0  0  0  0  0999 V2000
    4.0445    1.5685    0.0318 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8043    1.3687   -1.4235 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8279    1.4675   -2.4468 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0897    1.7017   -2.3733 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9029    1.9435   -1.2071 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1960    2.1816   -1.3509 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8101    2.2044   -2.6818 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0233    2.4345   -0.1114 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.1597    1.4829   -0.0905 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0281    0.6716    0.9203 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8469   -0.4708    1.4268 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7357   -0.0992    2.5666 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7356   -0.9018    0.2523 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9445   -1.6474    1.7393 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5675   -1.3194    2.1712 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4878   -1.3326    3.5710 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8846   -0.1562    1.5435 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7801    1.0667    1.6232 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.0327    1.4465    3.0770 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2808    2.1512    0.9931 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5690    1.1074   -1.8572 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3687    0.9853   -1.0909 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1878    0.7161   -1.6435 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9775    0.6119   -0.8079 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1503    0.3415   -1.3641 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1778    0.1599   -2.8293 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3683    0.2414   -0.6030 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5695   -0.0104   -0.9979 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7341   -0.0843   -0.1038 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9428   -0.3409   -0.5588 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0685   -0.5509   -2.0196 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1503   -0.4240    0.2845 C   0  0  2  0  0  0  0  0  0  0  0  0
   -8.8290   -1.7231    0.2742 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1255   -1.4866    0.4249 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.3691   -2.2723    0.5077 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.0191   -3.7437    0.4180 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.1037   -2.0616    1.8128 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.2150   -1.9281   -0.6859 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.1068   -0.5107   -1.1236 C   0  0  2  0  0  0  0  0  0  0  0  0
  -11.3557   -0.3980   -2.3198 O   0  0  0  0  0  0  0  0  0  0  0  0
  -11.5491    0.4592   -0.1535 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2683   -0.0015    0.5087 C   0  0  1  0  0  0  0  0  0  0  0  0
  -10.2172    0.5017    1.9163 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1486    0.4490   -0.1693 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0854    1.5010    0.6252 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7015    0.7969    0.4708 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4210    2.6135    0.1885 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4184    1.3082   -3.4884 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6297    1.7150   -3.3674 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5555    1.9497   -0.1855 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7254    1.2086   -3.1775 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8498    2.5675   -2.6788 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2542    2.9127   -3.3466 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3903    3.4822   -0.1940 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9653    1.5135   -0.8538 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7455    0.9862    2.7945 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7958   -0.3820    2.3111 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4889   -0.6874    3.4959 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3491   -0.0167   -0.0852 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0605   -1.2336   -0.5572 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3543   -1.7613    0.5550 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9426   -2.3818    0.8797 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4430   -2.2143    2.5780 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9318   -2.2313    1.8762 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7518   -2.2513    3.8880 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9309    0.0090    2.0484 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7714   -0.3764    0.4630 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5595    2.4165    3.1568 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5580    0.6984    3.6576 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0237    1.6343    3.5450 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4465    0.9630   -2.9518 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3713    1.1058   -0.0224 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1358    0.5849   -2.6982 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9793    0.7385    0.2642 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1504   -0.0931   -3.2561 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8439    1.1181   -3.2968 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4932   -0.6682   -3.1176 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2609    0.4088    0.4907 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7329   -0.1776   -2.0480 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5987    0.0751    0.9457 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8273    0.3963   -2.5654 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4359   -1.3872   -2.3821 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1191   -0.8044   -2.2562 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9683   -0.1317    1.3395 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4194   -2.7200    0.1668 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.7088   -4.0228   -0.5954 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1513   -3.9912    1.0968 H   0  0  0  0  0  0  0  0  0  0  0  0
  -11.8911   -4.3782    0.6928 H   0  0  0  0  0  0  0  0  0  0  0  0
  -12.3334   -1.0193    2.0430 H   0  0  0  0  0  0  0  0  0  0  0  0
  -11.4827   -2.4601    2.6399 H   0  0  0  0  0  0  0  0  0  0  0  0
  -13.0388   -2.6790    1.8010 H   0  0  0  0  0  0  0  0  0  0  0  0
  -11.8445   -2.5602   -1.5261 H   0  0  0  0  0  0  0  0  0  0  0  0
  -13.2591   -2.2648   -0.4914 H   0  0  0  0  0  0  0  0  0  0  0  0
  -13.1385   -0.1525   -1.4012 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.7155    0.3529   -2.2712 H   0  0  0  0  0  0  0  0  0  0  0  0
  -11.2394    1.3634   -0.7679 H   0  0  0  0  0  0  0  0  0  0  0  0
  -12.2837    0.8590    0.5561 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1205   -0.3086    2.6737 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3530    1.1959    2.1066 H   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1294    1.0816    2.2234 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  6  8  1  0
  8 20  1  0
 20 18  1  0
 18 19  1  1
 18 17  1  0
 17 15  1  0
 15 16  1  0
 15 14  1  0
 14 11  1  0
 11 12  1  0
 11 13  1  0
 11 10  1  0
 10  9  2  0
  2 21  2  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 25 27  1  0
 27 28  2  0
 28 29  1  0
 29 30  2  0
 30 31  1  0
 30 32  1  0
 32 44  1  0
 44 42  1  0
 42 43  1  1
 42 41  1  0
 41 39  1  0
 39 40  1  0
 39 38  1  0
 38 35  1  0
 35 36  1  0
 35 37  1  0
 35 34  1  0
 34 33  2  0
  9  8  1  0
 33 32  1  0
 10 18  1  0
 34 42  1  0
  1 45  1  0
  1 46  1  0
  1 47  1  0
  3 48  1  0
  4 49  1  0
  5 50  1  0
  7 51  1  0
  7 52  1  0
  7 53  1  0
  8 54  1  1
 19 68  1  0
 19 69  1  0
 19 70  1  0
 17 66  1  0
 17 67  1  0
 15 64  1  6
 16 65  1  0
 14 62  1  0
 14 63  1  0
 12 56  1  0
 12 57  1  0
 12 58  1  0
 13 59  1  0
 13 60  1  0
 13 61  1  0
  9 55  1  0
 21 71  1  0
 22 72  1  0
 23 73  1  0
 24 74  1  0
 26 75  1  0
 26 76  1  0
 26 77  1  0
 27 78  1  0
 28 79  1  0
 29 80  1  0
 31 81  1  0
 31 82  1  0
 31 83  1  0
 32 84  1  1
 43 98  1  0
 43 99  1  0
 43100  1  0
 41 96  1  0
 41 97  1  0
 39 94  1  6
 40 95  1  0
 38 92  1  0
 38 93  1  0
 36 86  1  0
 36 87  1  0
 36 88  1  0
 37 89  1  0
 37 90  1  0
 37 91  1  0
 33 85  1  0
M  END


  Mrv1533004161514082D          

 44 47  0  0  0  0            999 V2000
   -3.0587    0.0165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6462    0.7310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0587    1.4455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8837    1.4455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2962    2.1599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1212    2.1599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5337    2.8744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1212    3.5889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3587    2.8744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7712    3.5889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5962    3.5889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0087    4.3034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5962    5.0178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8337    4.3034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3186    3.6359    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1032    3.8909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0170    3.0704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.8177    3.4784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.5322    3.8909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.2467    3.4784    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -11.5322    4.7159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.8177    5.1284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.3480    5.7603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2874    5.7603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1032    4.7159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3186    4.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8212    0.7310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4087    0.0165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5837    0.0165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1712   -0.6979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5837   -1.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6538   -0.6979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1387   -0.0305    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9233   -0.2854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8371    0.5350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378    0.1271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3523   -0.2854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0668    0.1271    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3523   -1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378   -1.5229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1681   -2.1549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1075   -2.1549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9233   -1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1387   -1.3654    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
  3  4  1  4  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7  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
 12 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
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 22 25  1  0  0  0  0
 16 25  1  0  0  0  0
 25 26  2  0  0  0  0
 14 26  1  0  0  0  0
 27  2  1  4  0  0  0
 27 28  2  0  0  0  0
 29 28  1  4  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 30 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
 34 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 37 39  1  0  0  0  0
 39 40  1  0  0  0  0
 40 41  1  0  0  0  0
 40 42  1  0  0  0  0
 40 43  1  0  0  0  0
 34 43  1  0  0  0  0
 43 44  2  0  0  0  0
 32 44  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0172301

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC(C=CC=C(C)C1OC2(C)CC(O)CC(C)(C)C2=C1)=C\C=C\C=C(/C)\C=C\C=C(/C)C1OC2(C)CC(O)CC(C)(C)C2=C1

> <INCHI_IDENTIFIER>
InChI=1S/C40H56O4/c1-27(17-13-19-29(3)33-21-35-37(5,6)23-31(41)25-39(35,9)43-33)15-11-12-16-28(2)18-14-20-30(4)34-22-36-38(7,8)24-32(42)26-40(36,10)44-34/h11-22,31-34,41-42H,23-26H2,1-10H3/b12-11+,17-13+,18-14?,27-15+,28-16?,29-19+,30-20?

> <INCHI_KEY>
YLUSVJDFTAATNS-RVORTWRGSA-N

> <FORMULA>
C40H56O4

> <MOLECULAR_WEIGHT>
600.884

> <EXACT_MASS>
600.417860283

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
100

> <JCHEM_AVERAGE_POLARIZABILITY>
73.74598937419564

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-[(2E,4E,6E,8E)-15-(6-hydroxy-4,4,7a-trimethyl-2,4,5,6,7,7a-hexahydro-1-benzofuran-2-yl)-6,11-dimethylhexadeca-2,4,6,8,10,12,14-heptaen-2-yl]-4,4,7a-trimethyl-2,4,5,6,7,7a-hexahydro-1-benzofuran-6-ol

> <ALOGPS_LOGP>
8.13

> <JCHEM_LOGP>
6.715307937333332

> <ALOGPS_LOGS>
-5.92

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
15.429988922453276

> <JCHEM_PKA_STRONGEST_ACIDIC>
14.827928931125314

> <JCHEM_PKA_STRONGEST_BASIC>
-2.7423933654223616

> <JCHEM_POLAR_SURFACE_AREA>
58.92

> <JCHEM_REFRACTIVITY>
192.07660000000004

> <JCHEM_ROTATABLE_BOND_COUNT>
8

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
7.16e-04 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2-[(2E,4E,6E,8E)-15-(6-hydroxy-4,4,7a-trimethyl-2,5,6,7-tetrahydro-1-benzofuran-2-yl)-6,11-dimethylhexadeca-2,4,6,8,10,12,14-heptaen-2-yl]-4,4,7a-trimethyl-2,5,6,7-tetrahydro-1-benzofuran-6-ol

> <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  C   UNK     0      -5.710   0.031   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -4.940   1.365   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -5.710   2.698   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -7.250   2.698   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -8.020   4.032   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -9.560   4.032   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0     -10.330   5.366   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -9.560   6.699   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0     -11.870   5.366   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0     -12.640   6.699   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0     -14.180   6.699   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0     -14.950   8.033   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0     -14.180   9.367   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0     -16.490   8.033   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0     -17.395   6.787   0.000  0.00  0.00           O+0
HETATM   16  C   UNK     0     -18.859   7.263   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0     -18.698   5.731   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0     -20.193   6.493   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0     -21.527   7.263   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0     -22.860   6.493   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0     -21.527   8.803   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0     -20.193   9.573   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0     -21.183  10.753   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0     -19.203  10.753   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0     -18.859   8.803   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0     -17.395   9.279   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      -3.400   1.365   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      -2.630   0.031   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      -1.090   0.031   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      -0.320  -1.303   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      -1.090  -2.637   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0       1.220  -1.303   0.000  0.00  0.00           C+0
HETATM   33  O   UNK     0       2.126  -0.057   0.000  0.00  0.00           O+0
HETATM   34  C   UNK     0       3.590  -0.533   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0       3.429   0.999   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0       4.924   0.237   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0       6.258  -0.533   0.000  0.00  0.00           C+0
HETATM   38  O   UNK     0       7.591   0.237   0.000  0.00  0.00           O+0
HETATM   39  C   UNK     0       6.258  -2.073   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0       4.924  -2.843   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0       5.914  -4.023   0.000  0.00  0.00           C+0
HETATM   42  C   UNK     0       3.934  -4.023   0.000  0.00  0.00           C+0
HETATM   43  C   UNK     0       3.590  -2.073   0.000  0.00  0.00           C+0
HETATM   44  C   UNK     0       2.126  -2.549   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3   27                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7                                                       
CONECT    7    6    8    9                                                  
CONECT    8    7                                                            
CONECT    9    7   10                                                       
CONECT   10    9   11                                                       
CONECT   11   10   12                                                       
CONECT   12   11   13   14                                                  
CONECT   13   12                                                            
CONECT   14   12   15   26                                                  
CONECT   15   14   16                                                       
CONECT   16   15   17   18   25                                             
CONECT   17   16                                                            
CONECT   18   16   19                                                       
CONECT   19   18   20   21                                                  
CONECT   20   19                                                            
CONECT   21   19   22                                                       
CONECT   22   21   23   24   25                                             
CONECT   23   22                                                            
CONECT   24   22                                                            
CONECT   25   22   16   26                                                  
CONECT   26   25   14                                                       
CONECT   27    2   28                                                       
CONECT   28   27   29                                                       
CONECT   29   28   30                                                       
CONECT   30   29   31   32                                                  
CONECT   31   30                                                            
CONECT   32   30   33   44                                                  
CONECT   33   32   34                                                       
CONECT   34   33   35   36   43                                             
CONECT   35   34                                                            
CONECT   36   34   37                                                       
CONECT   37   36   38   39                                                  
CONECT   38   37                                                            
CONECT   39   37   40                                                       
CONECT   40   39   41   42   43                                             
CONECT   41   40                                                            
CONECT   42   40                                                            
CONECT   43   40   34   44                                                  
CONECT   44   43   32                                                       
MASTER        0    0    0    0    0    0    0    0   44    0   94    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₄₀H₅₆O₄

Average Mass

600.8840 Da

Monoisotopic Mass

600.41786 Da

IUPAC Name

Traditional Name

2-[(2E,4E,6E,8E)-15-(6-hydroxy-4,4,7a-trimethyl-2,5,6,7-tetrahydro-1-benzofuran-2-yl)-6,11-dimethylhexadeca-2,4,6,8,10,12,14-heptaen-2-yl]-4,4,7a-trimethyl-2,5,6,7-tetrahydro-1-benzofuran-6-ol

CAS Registry Number

Not Available

SMILES

CC(C=CC=C(C)C1OC2(C)CC(O)CC(C)(C)C2=C1)=C\C=C\C=C(/C)\C=C\C=C(/C)C1OC2(C)CC(O)CC(C)(C)C2=C1

InChI Identifier

InChI=1S/C40H56O4/c1-27(17-13-19-29(3)33-21-35-37(5,6)23-31(41)25-39(35,9)43-33)15-11-12-16-28(2)18-14-20-30(4)34-22-36-38(7,8)24-32(42)26-40(36,10)44-34/h11-22,31-34,41-42H,23-26H2,1-10H3/b12-11+,17-13+,18-14?,27-15+,28-16?,29-19+,30-20?

InChI Key

YLUSVJDFTAATNS-RVORTWRGSA-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
Citrus sinensis	LOTUS Database	35616633
Hippophae rhamnoides	LOTUS Database	35616633
Ipomoea batatas	LOTUS Database	35616633
Physalis minima	LOTUS Database	35616633
Pittosporum tobira	LOTUS Database	35616633
Rosa foetida	LOTUS Database	35616633
Viola tricolor	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as tetraterpenoids. These are terpenoid molecules containing 10 consecutively linked isoprene units.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Tetraterpenoids

Direct Parent

Tetraterpenoids

Alternative Parents

Substituents

Tetraterpenoid
Benzofuran
Dihydrofuran
Cyclic alcohol
Secondary alcohol
Oxacycle
Organoheterocyclic compound
Ether
Dialkyl ether
Organic oxygen compound
Hydrocarbon derivative
Organooxygen compound
Alcohol
Aliphatic heteropolycyclic compound

Molecular Framework

Aliphatic 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	8.13	ALOGPS
logP	6.72	ChemAxon
logS	-5.9	ALOGPS
pKa (Strongest Acidic)	14.83	ChemAxon
pKa (Strongest Basic)	-2.7	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	4	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	58.92 Å²	ChemAxon
Rotatable Bond Count	8	ChemAxon
Refractivity	192.08 m³·mol⁻¹	ChemAxon
Polarizability	73.75 Å³	ChemAxon
Number of Rings	4	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	Yes	ChemAxon

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

Not Available

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 2-[(8e,10e,12e,14e)-15-(6-hydroxy-4,4,7a-trimethyl-2,5,6,7-tetrahydro-1-benzofuran-2-yl)-6,11-dimethylhexadeca-2,4,6,8,10,12,14-heptaen-2-yl]-4,4,7a-trimethyl-2,5,6,7-tetrahydro-1-benzofuran-6-ol (NP0172301)

MOL for NP0172301 (2-[(8e,10e,12e,14e)-15-(6-hydroxy-4,4,7a-trimethyl-2,5,6,7-tetrahydro-1-benzofuran-2-yl)-6,11-dimethylhexadeca-2,4,6,8,10,12,14-heptaen-2-yl]-4,4,7a-trimethyl-2,5,6,7-tetrahydro-1-benzofuran-6-ol)

3D MOL for NP0172301 (2-[(8e,10e,12e,14e)-15-(6-hydroxy-4,4,7a-trimethyl-2,5,6,7-tetrahydro-1-benzofuran-2-yl)-6,11-dimethylhexadeca-2,4,6,8,10,12,14-heptaen-2-yl]-4,4,7a-trimethyl-2,5,6,7-tetrahydro-1-benzofuran-6-ol)

3D SDF for NP0172301 (2-[(8e,10e,12e,14e)-15-(6-hydroxy-4,4,7a-trimethyl-2,5,6,7-tetrahydro-1-benzofuran-2-yl)-6,11-dimethylhexadeca-2,4,6,8,10,12,14-heptaen-2-yl]-4,4,7a-trimethyl-2,5,6,7-tetrahydro-1-benzofuran-6-ol)

3D-SDF for NP0172301 (2-[(8e,10e,12e,14e)-15-(6-hydroxy-4,4,7a-trimethyl-2,5,6,7-tetrahydro-1-benzofuran-2-yl)-6,11-dimethylhexadeca-2,4,6,8,10,12,14-heptaen-2-yl]-4,4,7a-trimethyl-2,5,6,7-tetrahydro-1-benzofuran-6-ol)

PDB for NP0172301 (2-[(8e,10e,12e,14e)-15-(6-hydroxy-4,4,7a-trimethyl-2,5,6,7-tetrahydro-1-benzofuran-2-yl)-6,11-dimethylhexadeca-2,4,6,8,10,12,14-heptaen-2-yl]-4,4,7a-trimethyl-2,5,6,7-tetrahydro-1-benzofuran-6-ol)

3D PDB for NP0172301 (2-[(8e,10e,12e,14e)-15-(6-hydroxy-4,4,7a-trimethyl-2,5,6,7-tetrahydro-1-benzofuran-2-yl)-6,11-dimethylhexadeca-2,4,6,8,10,12,14-heptaen-2-yl]-4,4,7a-trimethyl-2,5,6,7-tetrahydro-1-benzofuran-6-ol)

SMILES for NP0172301 (2-[(8e,10e,12e,14e)-15-(6-hydroxy-4,4,7a-trimethyl-2,5,6,7-tetrahydro-1-benzofuran-2-yl)-6,11-dimethylhexadeca-2,4,6,8,10,12,14-heptaen-2-yl]-4,4,7a-trimethyl-2,5,6,7-tetrahydro-1-benzofuran-6-ol)

INCHI for NP0172301 (2-[(8e,10e,12e,14e)-15-(6-hydroxy-4,4,7a-trimethyl-2,5,6,7-tetrahydro-1-benzofuran-2-yl)-6,11-dimethylhexadeca-2,4,6,8,10,12,14-heptaen-2-yl]-4,4,7a-trimethyl-2,5,6,7-tetrahydro-1-benzofuran-6-ol)

Structure for NP0172301 (2-[(8e,10e,12e,14e)-15-(6-hydroxy-4,4,7a-trimethyl-2,5,6,7-tetrahydro-1-benzofuran-2-yl)-6,11-dimethylhexadeca-2,4,6,8,10,12,14-heptaen-2-yl]-4,4,7a-trimethyl-2,5,6,7-tetrahydro-1-benzofuran-6-ol)

3D Structure for NP0172301 (2-[(8e,10e,12e,14e)-15-(6-hydroxy-4,4,7a-trimethyl-2,5,6,7-tetrahydro-1-benzofuran-2-yl)-6,11-dimethylhexadeca-2,4,6,8,10,12,14-heptaen-2-yl]-4,4,7a-trimethyl-2,5,6,7-tetrahydro-1-benzofuran-6-ol)