NP-MRD: Showing NP-Card for (1s,2s,5s,8r,11r,12r)-2,12-dimethyl-6-methylidene-7,17-dioxo-16-oxapentacyclo[10.3.2.1⁵,⁸.0¹,¹¹.0²,⁸]octadecan-5-yl (1s,2s,5r,6r,8s,11r,12r)-6-hydroxy-2,12-dimethyl-17-oxo-16-oxapentacyclo[10.3.2.1⁵,⁸.0¹,¹¹.0²,⁸]octadecane-6-carboxylate (NP0307769)

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Record Information

Version

2.0

Created at

2022-09-11 01:08:09 UTC

Updated at

2022-09-11 01:08:10 UTC

NP-MRD ID

NP0307769

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(1s,2s,5s,8r,11r,12r)-2,12-dimethyl-6-methylidene-7,17-dioxo-16-oxapentacyclo[10.3.2.1⁵,⁸.0¹,¹¹.0²,⁸]octadecan-5-yl (1s,2s,5r,6r,8s,11r,12r)-6-hydroxy-2,12-dimethyl-17-oxo-16-oxapentacyclo[10.3.2.1⁵,⁸.0¹,¹¹.0²,⁸]octadecane-6-carboxylate

Description

(1S,2S,5S,8R,11R,12R)-2,12-dimethyl-6-methylidene-7,17-dioxo-16-oxapentacyclo[10.3.2.1⁵,⁸.0¹,¹¹.0²,⁸]Octadecan-5-yl (1S,2S,5R,6R,8S,11R,12R)-6-hydroxy-2,12-dimethyl-17-oxo-16-oxapentacyclo[10.3.2.1⁵,⁸.0¹,¹¹.0²,⁸]Octadecane-6-carboxylate belongs to the class of organic compounds known as naphthofurans. Naphthofurans are compounds containing a furan ring fused to a naphthalene moiety. Furan is a 5 membered- ring aromatic ring with four carbon and one oxygen atoms. Naphthalene is a polycyclic aromatic hydrocarbon made up of two fused benzene rings. (1s,2s,5s,8r,11r,12r)-2,12-dimethyl-6-methylidene-7,17-dioxo-16-oxapentacyclo[10.3.2.1⁵,⁸.0¹,¹¹.0²,⁸]octadecan-5-yl (1s,2s,5r,6r,8s,11r,12r)-6-hydroxy-2,12-dimethyl-17-oxo-16-oxapentacyclo[10.3.2.1⁵,⁸.0¹,¹¹.0²,⁸]octadecane-6-carboxylate is found in Parinari campestris. Based on a literature review very few articles have been published on (1S,2S,5S,8R,11R,12R)-2,12-dimethyl-6-methylidene-7,17-dioxo-16-oxapentacyclo[10.3.2.1⁵,⁸.0¹,¹¹.0²,⁸]Octadecan-5-yl (1S,2S,5R,6R,8S,11R,12R)-6-hydroxy-2,12-dimethyl-17-oxo-16-oxapentacyclo[10.3.2.1⁵,⁸.0¹,¹¹.0²,⁸]Octadecane-6-carboxylate.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309112203082D          

 48 57  0  0  1  0            999 V2000
    1.3597   -3.4823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1609   -3.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4889   -4.4845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0389   -5.1759    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3844   -4.4577    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.3494   -5.3007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0244   -5.7774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7801   -5.4317    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8806   -4.4816    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.7027   -4.5515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1606   -5.2377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9095   -6.0236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1386   -6.3173    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.0687   -7.1394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4283   -5.8977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7420   -6.3556    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3135   -5.0807    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1951   -4.0979    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.9322   -3.7274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3083   -3.2256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5969   -2.7418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8200   -3.1219    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.3690   -2.4311    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7417   -1.6951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5655   -1.6499    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2907   -1.0043    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.0250   -0.6282    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6165   -1.5534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8437   -1.1001    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.4698   -1.8566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3511   -1.9508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8482   -1.2849    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.4805   -0.4031    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.2352   -0.0700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9662   -0.4523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1231   -1.2623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5877   -1.8899    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.9209   -2.6446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7631   -1.8626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3808   -2.5937    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2704   -1.2009    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3051   -0.3955    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.1638    0.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6244    0.4242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4806    0.5072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9798   -0.1991    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.3645   -0.6118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1619   -3.7793    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  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  8  7  1  1  0  0  0
  8  9  1  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
  8 13  1  0  0  0  0
 13 14  1  6  0  0  0
 13 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
  9 17  1  1  0  0  0
  9 18  1  0  0  0  0
  5 18  1  0  0  0  0
 18 19  1  1  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
  2 22  1  0  0  0  0
 22 23  1  1  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 26 24  1  1  0  0  0
 26 27  1  6  0  0  0
 26 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
 32 31  1  6  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
 32 37  1  0  0  0  0
 37 38  1  1  0  0  0
 37 39  1  0  0  0  0
 39 40  2  0  0  0  0
 39 41  1  0  0  0  0
 33 41  1  6  0  0  0
 33 42  1  0  0  0  0
 29 42  1  0  0  0  0
 42 43  1  6  0  0  0
 42 44  1  0  0  0  0
 44 45  1  0  0  0  0
 45 46  1  0  0  0  0
 26 46  1  0  0  0  0
 46 47  1  6  0  0  0
 29 47  1  6  0  0  0
 22 48  1  0  0  0  0
  5 48  1  1  0  0  0
M  END

     RDKit          3D

100109  0  0  0  0  0  0  0  0999 V2000
    0.6176   -2.0017    0.2031 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5431   -1.0973    0.3668 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8894   -1.2846    0.9294 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2633   -2.3680    1.4357 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5828   -0.0006    0.7509 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.5615    0.2959    1.8361 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9969    0.1114    1.4826 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1262   -0.9181    0.4132 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.4007   -0.5413   -0.8557 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.2283   -1.8221   -1.6445 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6339   -2.2466   -2.0630 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5912   -2.3157   -0.9219 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5629   -1.0334   -0.1147 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.5769   -0.9963    0.9736 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6112    0.1141   -1.0393 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6452    0.8219   -1.2403 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3598    0.2303   -1.5947 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1378    0.2162   -0.6326 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.4348    1.6887   -0.8277 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1057   -0.2113   -1.6381 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7699    0.4753   -1.4346 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3886    0.3437   -0.0037 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0684    0.7112    0.2883 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4073    2.0191    0.2518 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4542    2.8767   -0.0706 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7612    2.4326    0.5462 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.8664    3.8164    0.4143 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8278    1.8347   -0.3265 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0779    1.6709    0.5099 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.2596    2.3304   -0.1022 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2928    1.4322   -0.6663 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6867    0.1460   -1.1523 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.0125   -0.6128   -0.0083 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.1858   -1.6883   -0.6751 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9009   -2.3224   -1.8225 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3612   -2.1160   -1.8903 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8677   -0.8015   -1.4172 C   0  0  2  0  0  0  0  0  0  0  0  0
   -7.9187   -0.1760   -2.2516 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3014   -1.0037    0.0154 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4327   -0.9019    0.5136 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0796   -1.3378    0.6316 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2991    0.2466    0.9454 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.1447    0.3245    2.2291 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9510   -0.2855    1.3984 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2013    0.6482    2.2651 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2597    2.0879    1.9228 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.7157    2.5116    1.7430 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4113    0.9817    0.8946 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7415   -3.0481    0.4766 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3384   -1.7357   -0.2247 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3858    1.3137    2.2916 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3274   -0.4120    2.6853 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5546   -0.2752    2.3774 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5283    1.0313    1.1853 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8849   -1.9418    0.7679 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7781   -2.6345   -1.0343 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6561   -1.6938   -2.5695 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5452   -3.2475   -2.5252 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0126   -1.5437   -2.8307 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4368   -3.2087   -0.2832 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6124   -2.3984   -1.3438 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6972    0.0282    1.3417 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5347   -1.3585    0.5755 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2424   -1.6866    1.7787 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6048    2.2558   -1.2649 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7347    2.1989    0.1067 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2886    1.8181   -1.5477 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9260   -1.3050   -1.5187 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4751    0.0089   -2.6669 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8012    1.4987   -1.8246 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0383   -0.1142   -2.0480 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9600    4.2378    0.2922 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0567    2.5371   -1.1783 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4461    0.9221   -0.7629 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7824    3.0416    0.6036 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8776    3.0120   -0.9181 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1206    1.1896    0.0220 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7510    1.9275   -1.5469 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0397    0.2485   -2.0222 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9961   -2.4623    0.1007 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2223   -1.3203   -1.0772 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4672   -2.0134   -2.8194 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7150   -3.4359   -1.7984 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8675   -2.9525   -1.3267 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7035   -2.2493   -2.9497 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4781    0.5866   -1.6850 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5623   -0.9605   -2.6791 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4183    0.3592   -3.0959 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9075    1.1075    2.1688 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7161   -0.6395    2.3783 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4964    0.3851    3.1325 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3091   -0.6295    0.5938 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1928   -1.2003    2.0163 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1199    0.3162    2.2588 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4796    0.5643    3.3577 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7746    2.6702    2.7096 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3422    2.3400    2.5971 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6630    3.5850    1.4091 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0833    1.0380    1.9477 H   0  0  0  0  0  0  0  0  0  0  0  0
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 21 70  1  0
 21 71  1  0
  1 49  1  0
  1 50  1  0
M  END


  Mrv1652309112203082D          

 48 57  0  0  1  0            999 V2000
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    4.3135   -5.0807    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1951   -4.0979    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.9322   -3.7274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3083   -3.2256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5969   -2.7418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8200   -3.1219    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.3690   -2.4311    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7417   -1.6951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5655   -1.6499    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2907   -1.0043    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.0250   -0.6282    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6165   -1.5534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8437   -1.1001    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.4698   -1.8566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3511   -1.9508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8482   -1.2849    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.4805   -0.4031    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.2352   -0.0700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9662   -0.4523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1231   -1.2623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5877   -1.8899    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.9209   -2.6446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7631   -1.8626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3808   -2.5937    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2704   -1.2009    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3051   -0.3955    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.1638    0.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6244    0.4242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4806    0.5072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9798   -0.1991    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.3645   -0.6118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1619   -3.7793    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  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  8  7  1  1  0  0  0
  8  9  1  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
  8 13  1  0  0  0  0
 13 14  1  6  0  0  0
 13 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
  9 17  1  1  0  0  0
  9 18  1  0  0  0  0
  5 18  1  0  0  0  0
 18 19  1  1  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
  2 22  1  0  0  0  0
 22 23  1  1  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 26 24  1  1  0  0  0
 26 27  1  6  0  0  0
 26 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
 32 31  1  6  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
 32 37  1  0  0  0  0
 37 38  1  1  0  0  0
 37 39  1  0  0  0  0
 39 40  2  0  0  0  0
 39 41  1  0  0  0  0
 33 41  1  6  0  0  0
 33 42  1  0  0  0  0
 29 42  1  0  0  0  0
 42 43  1  6  0  0  0
 42 44  1  0  0  0  0
 44 45  1  0  0  0  0
 45 46  1  0  0  0  0
 26 46  1  0  0  0  0
 46 47  1  6  0  0  0
 29 47  1  6  0  0  0
 22 48  1  0  0  0  0
  5 48  1  1  0  0  0
M  END
> <DATABASE_ID>
NP0307769

> <DATABASE_NAME>
NP-MRD

> <SMILES>
C[C@]12CCC[C@]3(OC1=O)[C@@H]2CC[C@@]12C[C@@H](CC[C@]31C)[C@](O)(C2)C(=O)O[C@]12C[C@@]3(CC[C@@H]4[C@@]5(C)CCC[C@@]4(OC5=O)[C@@]3(C)CC1)C(=O)C2=C

> <INCHI_IDENTIFIER>
InChI=1S/C40H52O8/c1-23-27(41)36-17-10-26-32(3)12-7-14-40(26,48-29(32)43)34(36,5)18-19-37(23,22-36)46-30(44)38(45)21-35-16-9-25-31(2)11-6-13-39(25,47-28(31)42)33(35,4)15-8-24(38)20-35/h24-26,45H,1,6-22H2,2-5H3/t24-,25-,26-,31-,32-,33+,34+,35+,36+,37+,38-,39+,40+/m1/s1

> <INCHI_KEY>
YECCQPBETSFSNY-XWSNBVIWSA-N

> <FORMULA>
C40H52O8

> <MOLECULAR_WEIGHT>
660.848

> <EXACT_MASS>
660.366218634

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
100

> <JCHEM_AVERAGE_POLARIZABILITY>
72.16154277970762

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(1S,2S,5S,8R,11R,12R)-2,12-dimethyl-6-methylidene-7,17-dioxo-16-oxapentacyclo[10.3.2.1^{5,8}.0^{1,11}.0^{2,8}]octadecan-5-yl (1S,2S,5R,6R,8S,11R,12R)-6-hydroxy-2,12-dimethyl-17-oxo-16-oxapentacyclo[10.3.2.1^{5,8}.0^{1,11}.0^{2,8}]octadecane-6-carboxylate

> <JCHEM_LOGP>
6.589726445333335

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
10

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
12.15691230220746

> <JCHEM_PKA_STRONGEST_BASIC>
-4.042366559014456

> <JCHEM_POLAR_SURFACE_AREA>
116.20000000000003

> <JCHEM_REFRACTIVITY>
172.8167

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(1S,2S,5S,8R,11R,12R)-2,12-dimethyl-6-methylidene-7,17-dioxo-16-oxapentacyclo[10.3.2.1^{5,8}.0^{1,11}.0^{2,8}]octadecan-5-yl (1S,2S,5R,6R,8S,11R,12R)-6-hydroxy-2,12-dimethyl-17-oxo-16-oxapentacyclo[10.3.2.1^{5,8}.0^{1,11}.0^{2,8}]octadecane-6-carboxylate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 11-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   11-SEP-22         0                                  
HETATM    1  C   UNK     0       2.538  -6.500   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       4.034  -6.868   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       4.646  -8.371   0.000  0.00  0.00           C+0
HETATM    4  O   UNK     0       3.806  -9.662   0.000  0.00  0.00           O+0
HETATM    5  C   UNK     0       6.318  -8.321   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       6.252  -9.895   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       7.512 -10.784   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       8.923 -10.139   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       9.110  -8.366   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      10.645  -8.496   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      11.500  -9.777   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      11.031 -11.244   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       9.592 -11.792   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       9.462 -13.327   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       8.266 -11.009   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0       6.985 -11.864   0.000  0.00  0.00           O+0
HETATM   17  O   UNK     0       8.052  -9.484   0.000  0.00  0.00           O+0
HETATM   18  C   UNK     0       7.831  -7.649   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       9.207  -6.958   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       8.042  -6.021   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       6.714  -5.118   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       5.264  -5.828   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0       4.422  -4.538   0.000  0.00  0.00           O+0
HETATM   24  C   UNK     0       5.118  -3.164   0.000  0.00  0.00           C+0
HETATM   25  O   UNK     0       6.656  -3.080   0.000  0.00  0.00           O+0
HETATM   26  C   UNK     0       4.276  -1.875   0.000  0.00  0.00           C+0
HETATM   27  O   UNK     0       5.647  -1.173   0.000  0.00  0.00           O+0
HETATM   28  C   UNK     0       3.017  -2.900   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       1.575  -2.054   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       0.877  -3.466   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      -0.655  -3.642   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      -1.583  -2.399   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      -0.897  -0.753   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      -2.306  -0.131   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0      -3.670  -0.844   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0      -3.963  -2.356   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0      -2.964  -3.528   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0      -3.586  -4.937   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0      -1.425  -3.477   0.000  0.00  0.00           C+0
HETATM   40  O   UNK     0      -0.711  -4.842   0.000  0.00  0.00           O+0
HETATM   41  O   UNK     0      -0.505  -2.242   0.000  0.00  0.00           O+0
HETATM   42  C   UNK     0       0.570  -0.738   0.000  0.00  0.00           C+0
HETATM   43  C   UNK     0      -0.306   0.529   0.000  0.00  0.00           C+0
HETATM   44  C   UNK     0       1.166   0.792   0.000  0.00  0.00           C+0
HETATM   45  C   UNK     0       2.764   0.947   0.000  0.00  0.00           C+0
HETATM   46  C   UNK     0       3.696  -0.372   0.000  0.00  0.00           C+0
HETATM   47  C   UNK     0       2.547  -1.142   0.000  0.00  0.00           C+0
HETATM   48  C   UNK     0       5.902  -7.055   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3   22                                                  
CONECT    3    2    4    5                                                  
CONECT    4    3                                                            
CONECT    5    3    6   18   48                                             
CONECT    6    5    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9   13                                                  
CONECT    9    8   10   17   18                                             
CONECT   10    9   11                                                       
CONECT   11   10   12                                                       
CONECT   12   11   13                                                       
CONECT   13   12    8   14   15                                             
CONECT   14   13                                                            
CONECT   15   13   16   17                                                  
CONECT   16   15                                                            
CONECT   17   15    9                                                       
CONECT   18    9    5   19   20                                             
CONECT   19   18                                                            
CONECT   20   18   21                                                       
CONECT   21   20   22                                                       
CONECT   22   21    2   23   48                                             
CONECT   23   22   24                                                       
CONECT   24   23   25   26                                                  
CONECT   25   24                                                            
CONECT   26   24   27   28   46                                             
CONECT   27   26                                                            
CONECT   28   26   29                                                       
CONECT   29   28   30   42   47                                             
CONECT   30   29   31                                                       
CONECT   31   30   32                                                       
CONECT   32   31   33   37                                                  
CONECT   33   32   34   41   42                                             
CONECT   34   33   35                                                       
CONECT   35   34   36                                                       
CONECT   36   35   37                                                       
CONECT   37   36   32   38   39                                             
CONECT   38   37                                                            
CONECT   39   37   40   41                                                  
CONECT   40   39                                                            
CONECT   41   39   33                                                       
CONECT   42   33   29   43   44                                             
CONECT   43   42                                                            
CONECT   44   42   45                                                       
CONECT   45   44   46                                                       
CONECT   46   45   26   47                                                  
CONECT   47   46   29                                                       
CONECT   48   22    5                                                       
MASTER        0    0    0    0    0    0    0    0   48    0  114    0
END

View in JSmol

Synonyms

Value	Source
(1S,2S,5S,8R,11R,12R)-2,12-Dimethyl-6-methylidene-7,17-dioxo-16-oxapentacyclo[10.3.2.1,.0,.0,]octadecan-5-yl (1S,2S,5R,6R,8S,11R,12R)-6-hydroxy-2,12-dimethyl-17-oxo-16-oxapentacyclo[10.3.2.1,.0,.0,]octadecane-6-carboxylic acid	Generator

Chemical Formula

C₄₀H₅₂O₈

Average Mass

660.8480 Da

Monoisotopic Mass

660.36622 Da

IUPAC Name

(1S,2S,5S,8R,11R,12R)-2,12-dimethyl-6-methylidene-7,17-dioxo-16-oxapentacyclo[10.3.2.1^{5,8}.0^{1,11}.0^{2,8}]octadecan-5-yl (1S,2S,5R,6R,8S,11R,12R)-6-hydroxy-2,12-dimethyl-17-oxo-16-oxapentacyclo[10.3.2.1^{5,8}.0^{1,11}.0^{2,8}]octadecane-6-carboxylate

Traditional Name

CAS Registry Number

Not Available

SMILES

C[C@]12CCC[C@]3(OC1=O)[C@@H]2CC[C@@]12C[C@@H](CC[C@]31C)[C@](O)(C2)C(=O)O[C@]12C[C@@]3(CC[C@@H]4[C@@]5(C)CCC[C@@]4(OC5=O)[C@@]3(C)CC1)C(=O)C2=C

InChI Identifier

InChI=1S/C40H52O8/c1-23-27(41)36-17-10-26-32(3)12-7-14-40(26,48-29(32)43)34(36,5)18-19-37(23,22-36)46-30(44)38(45)21-35-16-9-25-31(2)11-6-13-39(25,47-28(31)42)33(35,4)15-8-24(38)20-35/h24-26,45H,1,6-22H2,2-5H3/t24-,25-,26-,31-,32-,33+,34+,35+,36+,37+,38-,39+,40+/m1/s1

InChI Key

YECCQPBETSFSNY-XWSNBVIWSA-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
Parinari campestris	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as naphthofurans. Naphthofurans are compounds containing a furan ring fused to a naphthalene moiety. Furan is a 5 membered- ring aromatic ring with four carbon and one oxygen atoms. Naphthalene is a polycyclic aromatic hydrocarbon made up of two fused benzene rings.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Naphthofurans

Sub Class

Not Available

Direct Parent

Naphthofurans

Alternative Parents

Substituents

Naphthofuran
Tricarboxylic acid or derivatives
Caprolactone
Oxepane
Gamma butyrolactone
Cyclic alcohol
Tetrahydrofuran
Tertiary alcohol
Carboxylic acid ester
Ketone
Lactone
Oxacycle
Carboxylic acid derivative
Alcohol
Organic oxide
Carbonyl group
Hydrocarbon derivative
Organic oxygen compound
Organooxygen compound
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	6.59	ChemAxon
pKa (Strongest Acidic)	12.16	ChemAxon
pKa (Strongest Basic)	-4	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	5	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	116.2 Å²	ChemAxon
Rotatable Bond Count	3	ChemAxon
Refractivity	172.82 m³·mol⁻¹	ChemAxon
Polarizability	72.16 Å³	ChemAxon
Number of Rings	10	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

28283120

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

162930626

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for (1s,2s,5s,8r,11r,12r)-2,12-dimethyl-6-methylidene-7,17-dioxo-16-oxapentacyclo[10.3.2.1⁵,⁸.0¹,¹¹.0²,⁸]octadecan-5-yl (1s,2s,5r,6r,8s,11r,12r)-6-hydroxy-2,12-dimethyl-17-oxo-16-oxapentacyclo[10.3.2.1⁵,⁸.0¹,¹¹.0²,⁸]octadecane-6-carboxylate (NP0307769)

MOL for NP0307769 ((1s,2s,5s,8r,11r,12r)-2,12-dimethyl-6-methylidene-7,17-dioxo-16-oxapentacyclo[10.3.2.1⁵,⁸.0¹,¹¹.0²,⁸]octadecan-5-yl (1s,2s,5r,6r,8s,11r,12r)-6-hydroxy-2,12-dimethyl-17-oxo-16-oxapentacyclo[10.3.2.1⁵,⁸.0¹,¹¹.0²,⁸]octadecane-6-carboxylate)

3D MOL for NP0307769 ((1s,2s,5s,8r,11r,12r)-2,12-dimethyl-6-methylidene-7,17-dioxo-16-oxapentacyclo[10.3.2.1⁵,⁸.0¹,¹¹.0²,⁸]octadecan-5-yl (1s,2s,5r,6r,8s,11r,12r)-6-hydroxy-2,12-dimethyl-17-oxo-16-oxapentacyclo[10.3.2.1⁵,⁸.0¹,¹¹.0²,⁸]octadecane-6-carboxylate)

3D SDF for NP0307769 ((1s,2s,5s,8r,11r,12r)-2,12-dimethyl-6-methylidene-7,17-dioxo-16-oxapentacyclo[10.3.2.1⁵,⁸.0¹,¹¹.0²,⁸]octadecan-5-yl (1s,2s,5r,6r,8s,11r,12r)-6-hydroxy-2,12-dimethyl-17-oxo-16-oxapentacyclo[10.3.2.1⁵,⁸.0¹,¹¹.0²,⁸]octadecane-6-carboxylate)

3D-SDF for NP0307769 ((1s,2s,5s,8r,11r,12r)-2,12-dimethyl-6-methylidene-7,17-dioxo-16-oxapentacyclo[10.3.2.1⁵,⁸.0¹,¹¹.0²,⁸]octadecan-5-yl (1s,2s,5r,6r,8s,11r,12r)-6-hydroxy-2,12-dimethyl-17-oxo-16-oxapentacyclo[10.3.2.1⁵,⁸.0¹,¹¹.0²,⁸]octadecane-6-carboxylate)

PDB for NP0307769 ((1s,2s,5s,8r,11r,12r)-2,12-dimethyl-6-methylidene-7,17-dioxo-16-oxapentacyclo[10.3.2.1⁵,⁸.0¹,¹¹.0²,⁸]octadecan-5-yl (1s,2s,5r,6r,8s,11r,12r)-6-hydroxy-2,12-dimethyl-17-oxo-16-oxapentacyclo[10.3.2.1⁵,⁸.0¹,¹¹.0²,⁸]octadecane-6-carboxylate)

3D PDB for NP0307769 ((1s,2s,5s,8r,11r,12r)-2,12-dimethyl-6-methylidene-7,17-dioxo-16-oxapentacyclo[10.3.2.1⁵,⁸.0¹,¹¹.0²,⁸]octadecan-5-yl (1s,2s,5r,6r,8s,11r,12r)-6-hydroxy-2,12-dimethyl-17-oxo-16-oxapentacyclo[10.3.2.1⁵,⁸.0¹,¹¹.0²,⁸]octadecane-6-carboxylate)

SMILES for NP0307769 ((1s,2s,5s,8r,11r,12r)-2,12-dimethyl-6-methylidene-7,17-dioxo-16-oxapentacyclo[10.3.2.1⁵,⁸.0¹,¹¹.0²,⁸]octadecan-5-yl (1s,2s,5r,6r,8s,11r,12r)-6-hydroxy-2,12-dimethyl-17-oxo-16-oxapentacyclo[10.3.2.1⁵,⁸.0¹,¹¹.0²,⁸]octadecane-6-carboxylate)

INCHI for NP0307769 ((1s,2s,5s,8r,11r,12r)-2,12-dimethyl-6-methylidene-7,17-dioxo-16-oxapentacyclo[10.3.2.1⁵,⁸.0¹,¹¹.0²,⁸]octadecan-5-yl (1s,2s,5r,6r,8s,11r,12r)-6-hydroxy-2,12-dimethyl-17-oxo-16-oxapentacyclo[10.3.2.1⁵,⁸.0¹,¹¹.0²,⁸]octadecane-6-carboxylate)

Structure for NP0307769 ((1s,2s,5s,8r,11r,12r)-2,12-dimethyl-6-methylidene-7,17-dioxo-16-oxapentacyclo[10.3.2.1⁵,⁸.0¹,¹¹.0²,⁸]octadecan-5-yl (1s,2s,5r,6r,8s,11r,12r)-6-hydroxy-2,12-dimethyl-17-oxo-16-oxapentacyclo[10.3.2.1⁵,⁸.0¹,¹¹.0²,⁸]octadecane-6-carboxylate)

3D Structure for NP0307769 ((1s,2s,5s,8r,11r,12r)-2,12-dimethyl-6-methylidene-7,17-dioxo-16-oxapentacyclo[10.3.2.1⁵,⁸.0¹,¹¹.0²,⁸]octadecan-5-yl (1s,2s,5r,6r,8s,11r,12r)-6-hydroxy-2,12-dimethyl-17-oxo-16-oxapentacyclo[10.3.2.1⁵,⁸.0¹,¹¹.0²,⁸]octadecane-6-carboxylate)