NP-MRD: Showing NP-Card for (1s,2r,4r,6r,8s,11s,15s,16r,17s,20r,22r,24s,27r,30r)-8,24-dihydroxy-9,9,25,25-tetramethyl-15,30-dipentyl-5,10,14,21,26,29-hexaoxanonacyclo[15.11.2.0²,¹².0²,¹⁶.0⁴,⁶.0⁶,¹¹.0¹⁸,²⁸.0²⁰,²².0²²,²⁷]triaconta-12,18(28)-diene-3,19-dione (NP0238003)

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Record Information

Version

2.0

Created at

2022-09-06 21:18:47 UTC

Updated at

2022-09-06 21:18:47 UTC

NP-MRD ID

NP0238003

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(1s,2r,4r,6r,8s,11s,15s,16r,17s,20r,22r,24s,27r,30r)-8,24-dihydroxy-9,9,25,25-tetramethyl-15,30-dipentyl-5,10,14,21,26,29-hexaoxanonacyclo[15.11.2.0²,¹².0²,¹⁶.0⁴,⁶.0⁶,¹¹.0¹⁸,²⁸.0²⁰,²².0²²,²⁷]triaconta-12,18(28)-diene-3,19-dione

Description

Pestaloquinol A belongs to the class of organic compounds known as naphthopyrans. Naphthopyrans are compounds containing a pyran ring fused to a naphthalene moiety. Furan is a 6 membered-ring non-aromatic ring with five carbon and one oxygen atoms. Naphthalene is a polycyclic aromatic hydrocarbon made up of two fused benzene rings. Based on a literature review very few articles have been published on Pestaloquinol A.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309062223182D          

 48 56  0  0  1  0            999 V2000
    7.9228   -3.8850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2391   -3.4233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2992   -2.5701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7820   -1.8362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4180   -0.9968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8820   -0.1482    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.1655   -0.6640    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9361    0.2300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9882    1.0929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1830    1.4912    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.3679    1.1956    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5715    1.4684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9797    0.8518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6932    1.3284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6348    2.2984    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.9354    2.8427    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3257    2.7635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0929    2.3834    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.1844    3.2412    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8404    2.7792    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.4462    2.2191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6768    3.0389    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8349    1.4522    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.5058    2.1493    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.6657    1.4681    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1437    0.9340    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.5761    0.8964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5038   -0.1749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6956   -0.8277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3365   -1.6669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5173   -1.7650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1191    0.2251    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.7203    0.9555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4271    1.7266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9484    2.3661    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.6552    3.1372    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1765    3.7767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9090    4.5795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5151    4.5963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9909    3.6450    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.6828    4.2076    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2841    2.8738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7628    2.2344    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.5772    2.1027    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0560    1.4632    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.5347    0.8238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1077    0.1923    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2741    0.6037    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  6  5  1  6  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  6  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
 15 16  1  1  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 10 18  1  0  0  0  0
 18 19  1  1  0  0  0
 20 19  1  1  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 23 21  1  6  0  0  0
  9 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  1  0  0  0
 25 26  1  0  0  0  0
 26 27  1  6  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 26 32  1  0  0  0  0
 32 33  1  6  0  0  0
 33 34  2  0  0  0  0
 24 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  1  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 37 39  1  0  0  0  0
 37 40  1  0  0  0  0
 40 41  1  1  0  0  0
 40 42  1  0  0  0  0
 42 43  1  0  0  0  0
 35 43  1  0  0  0  0
 43 44  1  1  0  0  0
 45 44  1  1  0  0  0
 43 45  1  0  0  0  0
 45 46  1  0  0  0  0
 33 46  1  0  0  0  0
 46 47  2  0  0  0  0
 48 32  1  1  0  0  0
  6 48  1  0  0  0  0
 23 48  1  0  0  0  0
M  END

     RDKit          3D

100108  0  0  0  0  0  0  0  0999 V2000
   -3.6168    0.5712    6.8206 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8137    1.2078    5.6941 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7596    1.4763    4.5682 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0602    2.1169    3.3801 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9735    1.1844    2.8801 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2603    1.8070    1.6907 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.2291    2.1229    0.7341 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5930    1.2126   -0.2207 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8669    0.1531   -0.4981 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3224   -0.7924   -1.5461 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.4173   -0.2945   -2.1391 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3687   -1.0985   -2.6272 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6496   -0.2984   -2.7818 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9736   -1.5316   -4.0410 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7163   -2.3032   -1.7970 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.5003   -3.1409   -2.6113 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4766   -3.0402   -1.4465 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4004   -2.1451   -0.9598 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.0985   -2.8917   -1.0776 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6105   -2.4939    0.1573 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.7961   -1.4823    0.8373 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2692   -1.7197    1.9091 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6055   -0.1275    0.2047 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.5478   -0.2328   -0.8065 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.6543    0.9807   -1.4490 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7709    2.0838   -0.6284 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.9913    2.8569   -1.1340 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2609    4.0933   -0.3491 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4668    4.7959   -0.8913 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2708    5.1897   -2.3316 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5290    5.8988   -2.7974 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0298    1.6689    0.7974 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.1168    0.6420    0.7350 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8120   -0.4065   -0.0176 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6507   -1.6275   -0.0637 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4362   -2.3327   -1.2425 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0128   -3.5975   -1.0594 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7502   -4.3899   -2.3411 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3566   -4.3592    0.0671 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4955   -3.5227   -0.8879 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.1190   -3.2065   -2.0826 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9365   -2.5439    0.1769 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0881   -1.2848    0.1577 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.6398   -0.1641   -0.5060 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4516   -0.1995    0.9826 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.3834    0.7508    1.4146 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5342    1.6077    2.3096 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2081    0.8652    1.2337 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.3365    1.3010    7.2616 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2034   -0.2975    6.4571 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9393    0.1857    7.6214 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0192    0.4716    5.4332 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3351    2.1087    6.0991 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5769    2.1108    4.9506 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1969    0.4878    4.2653 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5912    3.0484    3.7373 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7546    2.3254    2.5592 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4294    0.2408    2.5094 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1939    1.0160    3.6499 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7608    2.7304    2.0993 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5257    1.3465   -0.7956 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.2952   -0.7039   -3.5816 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2317   -0.3780   -1.8399 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4386    0.7851   -2.9266 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9446   -1.9444   -4.0185 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.7091   -2.2294   -4.4674 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3324   -2.0522   -0.9266 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2607   -4.0850   -2.4163 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1411   -3.7150   -2.2759 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7346   -3.7491   -0.6062 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9464   -3.3675    0.7903 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3882   -1.0122   -1.5447 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0734    2.7772   -0.6717 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6824    3.1933   -2.1682 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8867    2.2099   -1.1701 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3962    4.7927   -0.4412 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4102    3.9348    0.7336 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3884    4.1693   -0.8335 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7168    5.7154   -0.2984 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1680    4.2865   -2.9811 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3994    5.8515   -2.4769 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000    6.6033   -2.0338 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3056    5.1182   -2.9786 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3564    6.4883   -3.7273 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2216    2.4768    1.4882 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3673   -2.3432    0.7635 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8273   -4.5375   -0.5197 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0740   -3.5130   -2.0723 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9341   -3.0264    1.1765 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9763   -2.2410   -0.0605 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4120   -0.1928    1.5213 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1700    0.2908    2.1325 H   0  0  0  0  0  0  0  0  0  0  0  0
 31 30  1  0
 30 29  1  0
 29 28  1  0
 28 27  1  0
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 26 25  1  0
 25 24  1  0
 24 34  1  0
 34 33  2  0
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 48  6  1  0
  6  5  1  0
  5  4  1  0
  4  3  1  0
  3  2  1  0
  2  1  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
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 12 13  1  0
 12 14  1  0
 12 15  1  0
 15 16  1  0
 15 17  1  0
 17 18  1  0
 18 19  1  6
 19 20  1  0
 20 21  1  0
 21 22  2  0
 23 21  1  1
 33 46  1  0
 46 47  2  0
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 45 44  1  0
 43 44  1  6
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 42 40  1  0
 40 41  1  0
 40 37  1  0
 37 38  1  0
 37 39  1  0
 37 36  1  0
 36 35  1  0
 32 26  1  0
 23 48  1  0
 43 45  1  0
 35 43  1  0
 23 24  1  0
 35 34  1  0
 23  9  1  0
 18 10  1  0
 20 18  1  0
 31 84  1  0
 31 85  1  0
 31 86  1  0
 30 82  1  0
 30 83  1  0
 29 80  1  0
 29 81  1  0
 28 78  1  0
 28 79  1  0
 27 76  1  0
 27 77  1  0
 26 75  1  1
 24 74  1  6
 32 87  1  1
 48100  1  1
  6 60  1  1
  5 58  1  0
  5 59  1  0
  4 56  1  0
  4 57  1  0
  3 54  1  0
  3 55  1  0
  2 52  1  0
  2 53  1  0
  1 49  1  0
  1 50  1  0
  1 51  1  0
  8 61  1  0
 10 62  1  6
 13 63  1  0
 13 64  1  0
 13 65  1  0
 14 66  1  0
 14 67  1  0
 14 68  1  0
 15 69  1  1
 16 70  1  0
 17 71  1  0
 17 72  1  0
 20 73  1  1
 45 99  1  1
 42 97  1  0
 42 98  1  0
 40 95  1  1
 41 96  1  0
 38 89  1  0
 38 90  1  0
 38 91  1  0
 39 92  1  0
 39 93  1  0
 39 94  1  0
 35 88  1  1
M  END


  Mrv1652309062223182D          

 48 56  0  0  1  0            999 V2000
    7.9228   -3.8850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2391   -3.4233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2992   -2.5701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7820   -1.8362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4180   -0.9968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8820   -0.1482    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.1655   -0.6640    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9361    0.2300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9882    1.0929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1830    1.4912    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.3679    1.1956    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5715    1.4684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9797    0.8518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6932    1.3284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6348    2.2984    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.9354    2.8427    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3257    2.7635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0929    2.3834    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.1844    3.2412    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8404    2.7792    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.4462    2.2191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6768    3.0389    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8349    1.4522    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.5058    2.1493    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.6657    1.4681    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1437    0.9340    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.5761    0.8964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5038   -0.1749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6956   -0.8277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3365   -1.6669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5173   -1.7650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1191    0.2251    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.7203    0.9555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4271    1.7266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9484    2.3661    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.6552    3.1372    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1765    3.7767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9090    4.5795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5151    4.5963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9909    3.6450    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.6828    4.2076    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2841    2.8738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7628    2.2344    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.5772    2.1027    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0560    1.4632    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.5347    0.8238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1077    0.1923    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2741    0.6037    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  6  5  1  6  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  6  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
 15 16  1  1  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 10 18  1  0  0  0  0
 18 19  1  1  0  0  0
 20 19  1  1  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 23 21  1  6  0  0  0
  9 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  1  0  0  0
 25 26  1  0  0  0  0
 26 27  1  6  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 26 32  1  0  0  0  0
 32 33  1  6  0  0  0
 33 34  2  0  0  0  0
 24 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  1  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 37 39  1  0  0  0  0
 37 40  1  0  0  0  0
 40 41  1  1  0  0  0
 40 42  1  0  0  0  0
 42 43  1  0  0  0  0
 35 43  1  0  0  0  0
 43 44  1  1  0  0  0
 45 44  1  1  0  0  0
 43 45  1  0  0  0  0
 45 46  1  0  0  0  0
 33 46  1  0  0  0  0
 46 47  2  0  0  0  0
 48 32  1  1  0  0  0
  6 48  1  0  0  0  0
 23 48  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0238003

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CCCCC[C@H]1O[C@H]2C3=C([C@@H]1[C@H]1[C@H](CCCCC)OC=C4[C@@H]5OC(C)(C)[C@@H](O)C[C@@]55O[C@H]5C(=O)[C@]214)C(=O)[C@@H]1O[C@@]11C[C@H](O)C(C)(C)O[C@H]31

> <INCHI_IDENTIFIER>
InChI=1S/C38H52O10/c1-7-9-11-13-19-23-24-25(30-37(32(47-37)27(24)41)16-22(40)35(5,6)46-30)31(44-19)38-18(17-43-20(26(23)38)14-12-10-8-2)29-36(33(48-36)28(38)42)15-21(39)34(3,4)45-29/h17,19-23,26,29-33,39-40H,7-16H2,1-6H3/t19-,20+,21+,22+,23-,26-,29+,30-,31+,32+,33+,36-,37-,38-/m1/s1

> <INCHI_KEY>
QOGRHXMXZZVQKH-PMMGAOLVSA-N

> <FORMULA>
C38H52O10

> <MOLECULAR_WEIGHT>
668.824

> <EXACT_MASS>
668.356047874

> <JCHEM_ACCEPTOR_COUNT>
10

> <JCHEM_ATOM_COUNT>
100

> <JCHEM_AVERAGE_POLARIZABILITY>
73.1759563617647

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(1S,2R,4R,6R,8S,11S,15S,16R,17S,20R,22R,24S,27R,30R)-8,24-dihydroxy-9,9,25,25-tetramethyl-15,30-dipentyl-5,10,14,21,26,29-hexaoxanonacyclo[15.11.2.0^{2,12}.0^{2,16}.0^{4,6}.0^{6,11}.0^{18,28}.0^{20,22}.0^{22,27}]triaconta-12,18(28)-diene-3,19-dione

> <JCHEM_LOGP>
3.447233699666665

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
9

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
14.2015896354031

> <JCHEM_PKA_STRONGEST_ACIDIC>
13.601715956679438

> <JCHEM_PKA_STRONGEST_BASIC>
-3.277589601375264

> <JCHEM_POLAR_SURFACE_AREA>
136.58

> <JCHEM_REFRACTIVITY>
172.2502

> <JCHEM_ROTATABLE_BOND_COUNT>
8

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(1S,2R,4R,6R,8S,11S,15S,16R,17S,20R,22R,24S,27R,30R)-8,24-dihydroxy-9,9,25,25-tetramethyl-15,30-dipentyl-5,10,14,21,26,29-hexaoxanonacyclo[15.11.2.0^{2,12}.0^{2,16}.0^{4,6}.0^{6,11}.0^{18,28}.0^{20,22}.0^{22,27}]triaconta-12,18(28)-diene-3,19-dione

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 06-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   06-SEP-22         0                                  
HETATM    1  C   UNK     0      14.789  -7.252   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      13.513  -6.390   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      13.625  -4.797   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      12.660  -3.428   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      11.980  -1.861   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      10.980  -0.277   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0       9.642  -1.239   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0       9.214   0.429   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       9.311   2.040   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       7.808   2.784   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0       6.287   2.232   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0       4.800   2.741   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       3.695   1.590   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       3.161   2.480   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       4.918   4.290   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0       3.613   5.306   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0       6.208   5.159   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       7.640   4.449   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0       7.811   6.050   0.000  0.00  0.00           O+0
HETATM   20  C   UNK     0       9.035   5.188   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      10.166   4.142   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0      10.597   5.673   0.000  0.00  0.00           O+0
HETATM   23  C   UNK     0      10.892   2.711   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      12.144   4.012   0.000  0.00  0.00           C+0
HETATM   25  O   UNK     0      12.443   2.740   0.000  0.00  0.00           O+0
HETATM   26  C   UNK     0      13.335   1.744   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      12.275   1.673   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      12.140  -0.327   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      10.632  -1.545   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       9.961  -3.112   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       8.432  -3.295   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      13.289   0.420   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      14.411   1.784   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      13.864   3.223   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0      14.837   4.417   0.000  0.00  0.00           C+0
HETATM   36  O   UNK     0      14.290   5.856   0.000  0.00  0.00           O+0
HETATM   37  C   UNK     0      15.263   7.050   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0      14.764   8.548   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0      15.895   8.580   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0      16.783   6.804   0.000  0.00  0.00           C+0
HETATM   41  O   UNK     0      18.075   7.854   0.000  0.00  0.00           O+0
HETATM   42  C   UNK     0      17.330   5.364   0.000  0.00  0.00           C+0
HETATM   43  C   UNK     0      16.357   4.171   0.000  0.00  0.00           C+0
HETATM   44  O   UNK     0      17.877   3.925   0.000  0.00  0.00           O+0
HETATM   45  C   UNK     0      16.904   2.731   0.000  0.00  0.00           C+0
HETATM   46  C   UNK     0      15.931   1.538   0.000  0.00  0.00           C+0
HETATM   47  O   UNK     0      17.001   0.359   0.000  0.00  0.00           O+0
HETATM   48  C   UNK     0      11.712   1.127   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7   48                                                  
CONECT    7    6    8                                                       
CONECT    8    7    9                                                       
CONECT    9    8   10   23                                                  
CONECT   10    9   11   18                                                  
CONECT   11   10   12                                                       
CONECT   12   11   13   14   15                                             
CONECT   13   12                                                            
CONECT   14   12                                                            
CONECT   15   12   16   17                                                  
CONECT   16   15                                                            
CONECT   17   15   18                                                       
CONECT   18   17   10   19   20                                             
CONECT   19   18   20                                                       
CONECT   20   19   18   21                                                  
CONECT   21   20   22   23                                                  
CONECT   22   21                                                            
CONECT   23   21    9   24   48                                             
CONECT   24   23   25   34                                                  
CONECT   25   24   26                                                       
CONECT   26   25   27   32                                                  
CONECT   27   26   28                                                       
CONECT   28   27   29                                                       
CONECT   29   28   30                                                       
CONECT   30   29   31                                                       
CONECT   31   30                                                            
CONECT   32   26   33   48                                                  
CONECT   33   32   34   46                                                  
CONECT   34   33   24   35                                                  
CONECT   35   34   36   43                                                  
CONECT   36   35   37                                                       
CONECT   37   36   38   39   40                                             
CONECT   38   37                                                            
CONECT   39   37                                                            
CONECT   40   37   41   42                                                  
CONECT   41   40                                                            
CONECT   42   40   43                                                       
CONECT   43   42   35   44   45                                             
CONECT   44   43   45                                                       
CONECT   45   44   43   46                                                  
CONECT   46   45   33   47                                                  
CONECT   47   46                                                            
CONECT   48   32    6   23                                                  
MASTER        0    0    0    0    0    0    0    0   48    0  112    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₃₈H₅₂O₁₀

Average Mass

668.8240 Da

Monoisotopic Mass

668.35605 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

CCCCC[C@H]1O[C@H]2C3=C([C@@H]1[C@H]1[C@H](CCCCC)OC=C4[C@@H]5OC(C)(C)[C@@H](O)C[C@@]55O[C@H]5C(=O)[C@]214)C(=O)[C@@H]1O[C@@]11C[C@H](O)C(C)(C)O[C@H]31

InChI Identifier

InChI=1S/C38H52O10/c1-7-9-11-13-19-23-24-25(30-37(32(47-37)27(24)41)16-22(40)35(5,6)46-30)31(44-19)38-18(17-43-20(26(23)38)14-12-10-8-2)29-36(33(48-36)28(38)42)15-21(39)34(3,4)45-29/h17,19-23,26,29-33,39-40H,7-16H2,1-6H3/t19-,20+,21+,22+,23-,26-,29+,30-,31+,32+,33+,36-,37-,38-/m1/s1

InChI Key

QOGRHXMXZZVQKH-PMMGAOLVSA-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

Description

Belongs to the class of organic compounds known as naphthopyrans. Naphthopyrans are compounds containing a pyran ring fused to a naphthalene moiety. Furan is a 6 membered-ring non-aromatic ring with five 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

Naphthopyrans

Sub Class

Not Available

Direct Parent

Naphthopyrans

Alternative Parents

Substituents

Naphthopyran
Naphthalene
Cyclohexenone
Oxepane
Oxane
Pyran
Ketone
Secondary alcohol
Dialkyl ether
Oxirane
Ether
Oxacycle
Organic oxygen compound
Carbonyl group
Organic oxide
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

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

26392262

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

53323682

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for (1s,2r,4r,6r,8s,11s,15s,16r,17s,20r,22r,24s,27r,30r)-8,24-dihydroxy-9,9,25,25-tetramethyl-15,30-dipentyl-5,10,14,21,26,29-hexaoxanonacyclo[15.11.2.0²,¹².0²,¹⁶.0⁴,⁶.0⁶,¹¹.0¹⁸,²⁸.0²⁰,²².0²²,²⁷]triaconta-12,18(28)-diene-3,19-dione (NP0238003)

MOL for NP0238003 ((1s,2r,4r,6r,8s,11s,15s,16r,17s,20r,22r,24s,27r,30r)-8,24-dihydroxy-9,9,25,25-tetramethyl-15,30-dipentyl-5,10,14,21,26,29-hexaoxanonacyclo[15.11.2.0²,¹².0²,¹⁶.0⁴,⁶.0⁶,¹¹.0¹⁸,²⁸.0²⁰,²².0²²,²⁷]triaconta-12,18(28)-diene-3,19-dione)

3D MOL for NP0238003 ((1s,2r,4r,6r,8s,11s,15s,16r,17s,20r,22r,24s,27r,30r)-8,24-dihydroxy-9,9,25,25-tetramethyl-15,30-dipentyl-5,10,14,21,26,29-hexaoxanonacyclo[15.11.2.0²,¹².0²,¹⁶.0⁴,⁶.0⁶,¹¹.0¹⁸,²⁸.0²⁰,²².0²²,²⁷]triaconta-12,18(28)-diene-3,19-dione)

3D SDF for NP0238003 ((1s,2r,4r,6r,8s,11s,15s,16r,17s,20r,22r,24s,27r,30r)-8,24-dihydroxy-9,9,25,25-tetramethyl-15,30-dipentyl-5,10,14,21,26,29-hexaoxanonacyclo[15.11.2.0²,¹².0²,¹⁶.0⁴,⁶.0⁶,¹¹.0¹⁸,²⁸.0²⁰,²².0²²,²⁷]triaconta-12,18(28)-diene-3,19-dione)

3D-SDF for NP0238003 ((1s,2r,4r,6r,8s,11s,15s,16r,17s,20r,22r,24s,27r,30r)-8,24-dihydroxy-9,9,25,25-tetramethyl-15,30-dipentyl-5,10,14,21,26,29-hexaoxanonacyclo[15.11.2.0²,¹².0²,¹⁶.0⁴,⁶.0⁶,¹¹.0¹⁸,²⁸.0²⁰,²².0²²,²⁷]triaconta-12,18(28)-diene-3,19-dione)

PDB for NP0238003 ((1s,2r,4r,6r,8s,11s,15s,16r,17s,20r,22r,24s,27r,30r)-8,24-dihydroxy-9,9,25,25-tetramethyl-15,30-dipentyl-5,10,14,21,26,29-hexaoxanonacyclo[15.11.2.0²,¹².0²,¹⁶.0⁴,⁶.0⁶,¹¹.0¹⁸,²⁸.0²⁰,²².0²²,²⁷]triaconta-12,18(28)-diene-3,19-dione)

3D PDB for NP0238003 ((1s,2r,4r,6r,8s,11s,15s,16r,17s,20r,22r,24s,27r,30r)-8,24-dihydroxy-9,9,25,25-tetramethyl-15,30-dipentyl-5,10,14,21,26,29-hexaoxanonacyclo[15.11.2.0²,¹².0²,¹⁶.0⁴,⁶.0⁶,¹¹.0¹⁸,²⁸.0²⁰,²².0²²,²⁷]triaconta-12,18(28)-diene-3,19-dione)

SMILES for NP0238003 ((1s,2r,4r,6r,8s,11s,15s,16r,17s,20r,22r,24s,27r,30r)-8,24-dihydroxy-9,9,25,25-tetramethyl-15,30-dipentyl-5,10,14,21,26,29-hexaoxanonacyclo[15.11.2.0²,¹².0²,¹⁶.0⁴,⁶.0⁶,¹¹.0¹⁸,²⁸.0²⁰,²².0²²,²⁷]triaconta-12,18(28)-diene-3,19-dione)

INCHI for NP0238003 ((1s,2r,4r,6r,8s,11s,15s,16r,17s,20r,22r,24s,27r,30r)-8,24-dihydroxy-9,9,25,25-tetramethyl-15,30-dipentyl-5,10,14,21,26,29-hexaoxanonacyclo[15.11.2.0²,¹².0²,¹⁶.0⁴,⁶.0⁶,¹¹.0¹⁸,²⁸.0²⁰,²².0²²,²⁷]triaconta-12,18(28)-diene-3,19-dione)

Structure for NP0238003 ((1s,2r,4r,6r,8s,11s,15s,16r,17s,20r,22r,24s,27r,30r)-8,24-dihydroxy-9,9,25,25-tetramethyl-15,30-dipentyl-5,10,14,21,26,29-hexaoxanonacyclo[15.11.2.0²,¹².0²,¹⁶.0⁴,⁶.0⁶,¹¹.0¹⁸,²⁸.0²⁰,²².0²²,²⁷]triaconta-12,18(28)-diene-3,19-dione)

3D Structure for NP0238003 ((1s,2r,4r,6r,8s,11s,15s,16r,17s,20r,22r,24s,27r,30r)-8,24-dihydroxy-9,9,25,25-tetramethyl-15,30-dipentyl-5,10,14,21,26,29-hexaoxanonacyclo[15.11.2.0²,¹².0²,¹⁶.0⁴,⁶.0⁶,¹¹.0¹⁸,²⁸.0²⁰,²².0²²,²⁷]triaconta-12,18(28)-diene-3,19-dione)