NP-MRD: Showing NP-Card for (2z,6s)-6-{4,4'-dihydroxy-2',6-dimethyl-5'-[(2s,5z)-6-methyl-7-{[(2r)-2-methylbutanoyl]oxy}hept-5-en-2-yl]-2,3',5,6'-tetraoxo-[1,1'-bi(cyclohexane)]-1(6),1',3,4'-tetraen-3-yl}-2-methylhept-2-en-1-yl (2r)-2-methylbutanoate (NP0320955)

Jump To Section:

Identification Spectra BioTaxonomy ChemoTaxonomy Physical properties Links References XML

Record Information

Version

2.0

Created at

2022-09-11 22:53:49 UTC

Updated at

2022-09-11 22:53:49 UTC

NP-MRD ID

NP0320955

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(2z,6s)-6-{4,4'-dihydroxy-2',6-dimethyl-5'-[(2s,5z)-6-methyl-7-{[(2r)-2-methylbutanoyl]oxy}hept-5-en-2-yl]-2,3',5,6'-tetraoxo-[1,1'-bi(cyclohexane)]-1(6),1',3,4'-tetraen-3-yl}-2-methylhept-2-en-1-yl (2r)-2-methylbutanoate

Description

Not Available

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309122200532D          

 50 51  0  0  1  0            999 V2000
    2.8579   13.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   12.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   11.9625    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.4289   12.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   11.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   10.7250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   10.7250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    9.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    9.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    8.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    8.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    7.0125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.1434    6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    8.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    8.6625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    8.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    9.4875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    8.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    8.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    7.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    8.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302    7.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447    7.4250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302    6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447    5.7750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    4.9500    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.4302    4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447    2.4750    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.1447    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    5.7750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    7.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    6.1875    0.0000 O   0  0  0  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  6  0  0  0
  3  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  1  0  0  0
 14 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  1  0  0  0
 32 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  2  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
 41 42  2  0  0  0  0
 41 43  1  0  0  0  0
 43 44  1  6  0  0  0
 43 45  1  0  0  0  0
 45 46  1  0  0  0  0
 31 47  1  0  0  0  0
 24 47  1  0  0  0  0
 47 48  2  0  0  0  0
 23 49  1  0  0  0  0
 16 49  1  0  0  0  0
 49 50  2  0  0  0  0
M  END

     RDKit          3D

104105  0  0  0  0  0  0  0  0999 V2000
    9.6376   -3.1232   -4.0520 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6336   -3.0987   -2.9409 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8929   -1.6910   -2.4680 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.4356   -0.8156   -3.5754 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6514   -1.0967   -1.8564 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4982   -1.5446   -2.0761 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7380   -0.0051   -1.0079 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6736    0.6431   -0.3728 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9587   -0.3759    0.4241 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7309   -1.1024    1.4694 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6970   -0.6555    0.2257 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8396   -0.0227   -0.7759 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6724    0.7211   -0.1320 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7948   -0.1792    0.6592 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.1489   -1.2715   -0.1285 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7642    0.6396    1.3696 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7522    0.7480    2.6699 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7270    0.0793    3.4203 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7540    1.5457    3.3407 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7343    1.6570    4.5812 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7636    2.2214    2.4994 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0032    3.3051    3.2555 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6649    2.1818    1.1879 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6152    2.4778    0.5003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6814    2.7811   -0.7687 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4633    2.9151   -1.7182 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0212    2.9598   -1.4159 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0538    3.2649   -2.6423 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2561    2.7928   -0.6728 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4291    2.9891   -1.3379 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2448    2.4780    0.5665 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3165    2.2590    1.4912 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.0223    3.2031    2.6990 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7230    2.2839    1.2800 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4235    1.3362    0.3489 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1549   -0.0632    0.7215 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0578   -0.9201    1.1566 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5712   -2.3133    1.4769 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4721   -0.6338    1.3914 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3704   -1.4144    0.6180 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3867   -1.4036   -0.7545 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5490   -0.6557   -1.3666 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3548   -2.2404   -1.4953 C   0  0  2  0  0  0  0  0  0  0  0  0
  -11.7785   -1.8170   -1.1775 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1421   -3.6894   -1.1996 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3178   -3.9761    0.2761 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8900    2.3055    1.2058 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8857    1.9776    2.4114 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7186    1.3493    0.5691 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8029    1.1695   -0.6519 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1308   -3.4493   -4.9930 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1885   -2.1447   -4.2198 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8083   -3.8345   -3.7964 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5868   -3.5866   -3.2419 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2302   -3.6713   -2.0608 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6637   -1.7025   -1.6653 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4090   -1.2648   -3.8861 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7856   -0.8062   -4.4749 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6684    0.1966   -3.1922 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1609    1.3201    0.3979 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0784    1.2993   -0.9862 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6200   -1.6060    1.0446 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0546   -0.3717    2.2260 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0759   -1.8677    1.9784 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2524   -1.4306    0.8661 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3379    0.5699   -1.5524 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3337   -0.8525   -1.3562 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0834    1.5225    0.5167 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0690    1.2481   -0.8934 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3560   -0.6974    1.4848 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3511   -1.7893    0.4675 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8994   -2.0619   -0.4135 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6421   -0.9496   -1.0562 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6708    0.4491    3.5239 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4872    4.0082    2.6138 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4557    2.9397    4.1753 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8658    3.9668    3.6993 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5667    2.1445   -2.4574 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1219    3.8185   -2.4355 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3019    3.4096   -1.2468 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8230    3.8645   -1.6510 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0806    1.2305    1.9746 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9605    3.7572    2.9554 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7716    2.6325    3.6068 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2135    3.8964    2.4753 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1917    3.3203    1.2085 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1827    1.9820    2.2985 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5475    1.4772    0.5437 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3506    1.5261   -0.7157 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1028   -0.3990    0.6205 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5460   -2.2608    1.8712 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5952   -2.9158    0.5402 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2716   -2.7732    2.1945 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8131    0.3884    1.3754 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6840   -0.9763    2.4703 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1972   -2.0382   -2.5881 H   0  0  0  0  0  0  0  0  0  0  0  0
  -11.8563   -1.4174   -0.1529 H   0  0  0  0  0  0  0  0  0  0  0  0
  -12.4027   -2.7303   -1.2256 H   0  0  0  0  0  0  0  0  0  0  0  0
  -12.1724   -1.0852   -1.9189 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0944   -3.9849   -1.4881 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.8437   -4.3310   -1.7966 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9113   -3.1430    0.7299 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.8714   -4.9484    0.4486 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3138   -4.0536    0.7622 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
  9 11  2  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 14 16  1  0
 16 17  2  0
 17 18  1  0
 17 19  1  0
 19 20  2  0
 19 21  1  0
 21 22  1  0
 21 23  2  0
 23 49  1  0
 49 50  2  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 25 27  1  0
 27 28  2  0
 27 29  1  0
 29 30  1  0
 29 31  2  0
 31 32  1  0
 32 33  1  0
 32 34  1  0
 34 35  1  0
 35 36  1  0
 36 37  2  0
 37 38  1  0
 37 39  1  0
 39 40  1  0
 40 41  1  0
 41 42  2  0
 41 43  1  0
 43 44  1  0
 43 45  1  0
 45 46  1  0
 31 47  1  0
 47 48  2  0
 49 16  1  0
 47 24  1  0
  1 51  1  0
  1 52  1  0
  1 53  1  0
  2 54  1  0
  2 55  1  0
  3 56  1  1
  4 57  1  0
  4 58  1  0
  4 59  1  0
  8 60  1  0
  8 61  1  0
 10 62  1  0
 10 63  1  0
 10 64  1  0
 11 65  1  0
 12 66  1  0
 12 67  1  0
 13 68  1  0
 13 69  1  0
 14 70  1  1
 15 71  1  0
 15 72  1  0
 15 73  1  0
 18 74  1  0
 22 75  1  0
 22 76  1  0
 22 77  1  0
 26 78  1  0
 26 79  1  0
 26 80  1  0
 30 81  1  0
 32 82  1  1
 33 83  1  0
 33 84  1  0
 33 85  1  0
 34 86  1  0
 34 87  1  0
 35 88  1  0
 35 89  1  0
 36 90  1  0
 38 91  1  0
 38 92  1  0
 38 93  1  0
 39 94  1  0
 39 95  1  0
 43 96  1  6
 44 97  1  0
 44 98  1  0
 44 99  1  0
 45100  1  0
 45101  1  0
 46102  1  0
 46103  1  0
 46104  1  0
M  END


  Mrv1652309122200532D          

 50 51  0  0  1  0            999 V2000
    2.8579   13.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   12.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   11.9625    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.4289   12.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   11.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   10.7250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   10.7250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    9.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    9.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    8.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    8.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    7.0125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.1434    6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    8.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    8.6625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    8.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    9.4875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    8.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    8.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    7.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    8.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302    7.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447    7.4250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302    6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447    5.7750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    4.9500    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.4302    4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447    2.4750    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.1447    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    5.7750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    7.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    6.1875    0.0000 O   0  0  0  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  6  0  0  0
  3  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  1  0  0  0
 14 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  1  0  0  0
 32 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  2  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
 41 42  2  0  0  0  0
 41 43  1  0  0  0  0
 43 44  1  6  0  0  0
 43 45  1  0  0  0  0
 45 46  1  0  0  0  0
 31 47  1  0  0  0  0
 24 47  1  0  0  0  0
 47 48  2  0  0  0  0
 23 49  1  0  0  0  0
 16 49  1  0  0  0  0
 49 50  2  0  0  0  0
M  END
> <DATABASE_ID>
NP0320955

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC[C@@H](C)C(=O)OC\C(C)=C/CC[C@H](C)C1=C(O)C(=O)C(C)=C(C1=O)C1=C(C)C(=O)C(O)=C([C@@H](C)CC\C=C(\C)COC(=O)[C@H](C)CC)C1=O

> <INCHI_IDENTIFIER>
InChI=1S/C40H54O10/c1-11-23(5)39(47)49-19-21(3)15-13-17-25(7)29-35(43)31(27(9)33(41)37(29)45)32-28(10)34(42)38(46)30(36(32)44)26(8)18-14-16-22(4)20-50-40(48)24(6)12-2/h15-16,23-26,45-46H,11-14,17-20H2,1-10H3/b21-15-,22-16-/t23-,24-,25+,26+/m1/s1

> <INCHI_KEY>
PWPSLFKUWYJRKA-YVJPUQEYSA-N

> <FORMULA>
C40H54O10

> <MOLECULAR_WEIGHT>
694.862

> <EXACT_MASS>
694.371697939

> <JCHEM_ACCEPTOR_COUNT>
8

> <JCHEM_ATOM_COUNT>
104

> <JCHEM_AVERAGE_POLARIZABILITY>
77.05187508269115

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2Z,6S)-6-{4,4'-dihydroxy-2',6-dimethyl-5'-[(2S,5Z)-6-methyl-7-{[(2R)-2-methylbutanoyl]oxy}hept-5-en-2-yl]-2,3',5,6'-tetraoxo-[1,1'-bi(cyclohexane)]-1(6),1',3,4'-tetraen-3-yl}-2-methylhept-2-en-1-yl (2R)-2-methylbutanoate

> <JCHEM_LOGP>
8.510846123999997

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
6.18270638790334

> <JCHEM_PKA_STRONGEST_ACIDIC>
5.519105453826832

> <JCHEM_PKA_STRONGEST_BASIC>
-5.182532754392793

> <JCHEM_POLAR_SURFACE_AREA>
161.34

> <JCHEM_REFRACTIVITY>
196.49240000000003

> <JCHEM_ROTATABLE_BOND_COUNT>
19

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(2Z,6S)-6-{4,4'-dihydroxy-2',6-dimethyl-5'-[(2S,5Z)-6-methyl-7-{[(2R)-2-methylbutanoyl]oxy}hept-5-en-2-yl]-2,3',5,6'-tetraoxo-[1,1'-bi(cyclohexane)]-1(6),1',3,4'-tetraen-3-yl}-2-methylhept-2-en-1-yl (2R)-2-methylbutanoate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 12-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   12-SEP-22         0                                  
HETATM    1  C   UNK     0       5.335  24.640   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       5.335  23.100   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       4.001  22.330   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       2.667  23.100   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       4.001  20.790   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0       5.335  20.020   0.000  0.00  0.00           O+0
HETATM    7  O   UNK     0       2.667  20.020   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0       2.667  18.480   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       1.334  17.710   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       0.000  18.480   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       1.334  16.170   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       2.667  15.400   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       2.667  13.860   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       4.001  13.090   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       4.001  11.550   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       5.335  13.860   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       5.335  15.400   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0       4.001  16.170   0.000  0.00  0.00           O+0
HETATM   19  C   UNK     0       6.668  16.170   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0       6.668  17.710   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0       8.002  15.400   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       9.336  16.170   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       8.002  13.860   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       9.336  13.090   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      10.669  13.860   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      10.669  15.400   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      12.003  13.090   0.000  0.00  0.00           C+0
HETATM   28  O   UNK     0      13.337  13.860   0.000  0.00  0.00           O+0
HETATM   29  C   UNK     0      12.003  11.550   0.000  0.00  0.00           C+0
HETATM   30  O   UNK     0      13.337  10.780   0.000  0.00  0.00           O+0
HETATM   31  C   UNK     0      10.669  10.780   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      10.669   9.240   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      12.003   8.470   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0       9.336   8.470   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0       9.336   6.930   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0       8.002   6.160   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0       8.002   4.620   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0       6.668   3.850   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0       9.336   3.850   0.000  0.00  0.00           C+0
HETATM   40  O   UNK     0      10.669   4.620   0.000  0.00  0.00           O+0
HETATM   41  C   UNK     0      12.003   3.850   0.000  0.00  0.00           C+0
HETATM   42  O   UNK     0      12.003   2.310   0.000  0.00  0.00           O+0
HETATM   43  C   UNK     0      13.337   4.620   0.000  0.00  0.00           C+0
HETATM   44  C   UNK     0      13.337   6.160   0.000  0.00  0.00           C+0
HETATM   45  C   UNK     0      14.670   3.850   0.000  0.00  0.00           C+0
HETATM   46  C   UNK     0      16.004   4.620   0.000  0.00  0.00           C+0
HETATM   47  C   UNK     0       9.336  11.550   0.000  0.00  0.00           C+0
HETATM   48  O   UNK     0       8.002  10.780   0.000  0.00  0.00           O+0
HETATM   49  C   UNK     0       6.668  13.090   0.000  0.00  0.00           C+0
HETATM   50  O   UNK     0       6.668  11.550   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4    5                                                  
CONECT    4    3                                                            
CONECT    5    3    6    7                                                  
CONECT    6    5                                                            
CONECT    7    5    8                                                       
CONECT    8    7    9                                                       
CONECT    9    8   10   11                                                  
CONECT   10    9                                                            
CONECT   11    9   12                                                       
CONECT   12   11   13                                                       
CONECT   13   12   14                                                       
CONECT   14   13   15   16                                                  
CONECT   15   14                                                            
CONECT   16   14   17   49                                                  
CONECT   17   16   18   19                                                  
CONECT   18   17                                                            
CONECT   19   17   20   21                                                  
CONECT   20   19                                                            
CONECT   21   19   22   23                                                  
CONECT   22   21                                                            
CONECT   23   21   24   49                                                  
CONECT   24   23   25   47                                                  
CONECT   25   24   26   27                                                  
CONECT   26   25                                                            
CONECT   27   25   28   29                                                  
CONECT   28   27                                                            
CONECT   29   27   30   31                                                  
CONECT   30   29                                                            
CONECT   31   29   32   47                                                  
CONECT   32   31   33   34                                                  
CONECT   33   32                                                            
CONECT   34   32   35                                                       
CONECT   35   34   36                                                       
CONECT   36   35   37                                                       
CONECT   37   36   38   39                                                  
CONECT   38   37                                                            
CONECT   39   37   40                                                       
CONECT   40   39   41                                                       
CONECT   41   40   42   43                                                  
CONECT   42   41                                                            
CONECT   43   41   44   45                                                  
CONECT   44   43                                                            
CONECT   45   43   46                                                       
CONECT   46   45                                                            
CONECT   47   31   24   48                                                  
CONECT   48   47                                                            
CONECT   49   23   16   50                                                  
CONECT   50   49                                                            
MASTER        0    0    0    0    0    0    0    0   50    0  102    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₄₀H₅₄O₁₀

Average Mass

694.8620 Da

Monoisotopic Mass

694.37170 Da

IUPAC Name

(2Z,6S)-6-{4,4'-dihydroxy-2',6-dimethyl-5'-[(2S,5Z)-6-methyl-7-{[(2R)-2-methylbutanoyl]oxy}hept-5-en-2-yl]-2,3',5,6'-tetraoxo-[1,1'-bi(cyclohexane)]-1(6),1',3,4'-tetraen-3-yl}-2-methylhept-2-en-1-yl (2R)-2-methylbutanoate

Traditional Name

CAS Registry Number

Not Available

SMILES

CC[C@@H](C)C(=O)OC\C(C)=C/CC[C@H](C)C1=C(O)C(=O)C(C)=C(C1=O)C1=C(C)C(=O)C(O)=C([C@@H](C)CC\C=C(\C)COC(=O)[C@H](C)CC)C1=O

InChI Identifier

InChI=1S/C40H54O10/c1-11-23(5)39(47)49-19-21(3)15-13-17-25(7)29-35(43)31(27(9)33(41)37(29)45)32-28(10)34(42)38(46)30(36(32)44)26(8)18-14-16-22(4)20-50-40(48)24(6)12-2/h15-16,23-26,45-46H,11-14,17-20H2,1-10H3/b21-15-,22-16-/t23-,24-,25+,26+/m1/s1

InChI Key

PWPSLFKUWYJRKA-YVJPUQEYSA-N

Experimental Spectra

Not Available

Predicted Spectra

Spectrum Type	Description	Depositor ID	Depositor Organization	Depositor	Deposition Date	View
1D NMR	¹³C NMR Spectrum (1D, 25 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 252 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 101 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 126 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 176 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 201 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 226 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum

Chemical Shift Submissions

Not Available

Species

Species of Origin

Not Available

Chemical Taxonomy

Classification

Not classified

Physical Properties

State

Not Available

Experimental Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Predicted Properties

Property	Value	Source
logP	8.51	ChemAxon
pKa (Strongest Acidic)	5.52	ChemAxon
pKa (Strongest Basic)	-5.2	ChemAxon
Physiological Charge	-2	ChemAxon
Hydrogen Acceptor Count	8	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	161.34 Å²	ChemAxon
Rotatable Bond Count	19	ChemAxon
Refractivity	196.49 m³·mol⁻¹	ChemAxon
Polarizability	77.05 Å³	ChemAxon
Number of Rings	2	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

External Links

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for (2z,6s)-6-{4,4'-dihydroxy-2',6-dimethyl-5'-[(2s,5z)-6-methyl-7-{[(2r)-2-methylbutanoyl]oxy}hept-5-en-2-yl]-2,3',5,6'-tetraoxo-[1,1'-bi(cyclohexane)]-1(6),1',3,4'-tetraen-3-yl}-2-methylhept-2-en-1-yl (2r)-2-methylbutanoate (NP0320955)

MOL for NP0320955 ((2z,6s)-6-{4,4'-dihydroxy-2',6-dimethyl-5'-[(2s,5z)-6-methyl-7-{[(2r)-2-methylbutanoyl]oxy}hept-5-en-2-yl]-2,3',5,6'-tetraoxo-[1,1'-bi(cyclohexane)]-1(6),1',3,4'-tetraen-3-yl}-2-methylhept-2-en-1-yl (2r)-2-methylbutanoate)

3D MOL for NP0320955 ((2z,6s)-6-{4,4'-dihydroxy-2',6-dimethyl-5'-[(2s,5z)-6-methyl-7-{[(2r)-2-methylbutanoyl]oxy}hept-5-en-2-yl]-2,3',5,6'-tetraoxo-[1,1'-bi(cyclohexane)]-1(6),1',3,4'-tetraen-3-yl}-2-methylhept-2-en-1-yl (2r)-2-methylbutanoate)

3D SDF for NP0320955 ((2z,6s)-6-{4,4'-dihydroxy-2',6-dimethyl-5'-[(2s,5z)-6-methyl-7-{[(2r)-2-methylbutanoyl]oxy}hept-5-en-2-yl]-2,3',5,6'-tetraoxo-[1,1'-bi(cyclohexane)]-1(6),1',3,4'-tetraen-3-yl}-2-methylhept-2-en-1-yl (2r)-2-methylbutanoate)

3D-SDF for NP0320955 ((2z,6s)-6-{4,4'-dihydroxy-2',6-dimethyl-5'-[(2s,5z)-6-methyl-7-{[(2r)-2-methylbutanoyl]oxy}hept-5-en-2-yl]-2,3',5,6'-tetraoxo-[1,1'-bi(cyclohexane)]-1(6),1',3,4'-tetraen-3-yl}-2-methylhept-2-en-1-yl (2r)-2-methylbutanoate)

PDB for NP0320955 ((2z,6s)-6-{4,4'-dihydroxy-2',6-dimethyl-5'-[(2s,5z)-6-methyl-7-{[(2r)-2-methylbutanoyl]oxy}hept-5-en-2-yl]-2,3',5,6'-tetraoxo-[1,1'-bi(cyclohexane)]-1(6),1',3,4'-tetraen-3-yl}-2-methylhept-2-en-1-yl (2r)-2-methylbutanoate)

3D PDB for NP0320955 ((2z,6s)-6-{4,4'-dihydroxy-2',6-dimethyl-5'-[(2s,5z)-6-methyl-7-{[(2r)-2-methylbutanoyl]oxy}hept-5-en-2-yl]-2,3',5,6'-tetraoxo-[1,1'-bi(cyclohexane)]-1(6),1',3,4'-tetraen-3-yl}-2-methylhept-2-en-1-yl (2r)-2-methylbutanoate)

SMILES for NP0320955 ((2z,6s)-6-{4,4'-dihydroxy-2',6-dimethyl-5'-[(2s,5z)-6-methyl-7-{[(2r)-2-methylbutanoyl]oxy}hept-5-en-2-yl]-2,3',5,6'-tetraoxo-[1,1'-bi(cyclohexane)]-1(6),1',3,4'-tetraen-3-yl}-2-methylhept-2-en-1-yl (2r)-2-methylbutanoate)

INCHI for NP0320955 ((2z,6s)-6-{4,4'-dihydroxy-2',6-dimethyl-5'-[(2s,5z)-6-methyl-7-{[(2r)-2-methylbutanoyl]oxy}hept-5-en-2-yl]-2,3',5,6'-tetraoxo-[1,1'-bi(cyclohexane)]-1(6),1',3,4'-tetraen-3-yl}-2-methylhept-2-en-1-yl (2r)-2-methylbutanoate)

Structure for NP0320955 ((2z,6s)-6-{4,4'-dihydroxy-2',6-dimethyl-5'-[(2s,5z)-6-methyl-7-{[(2r)-2-methylbutanoyl]oxy}hept-5-en-2-yl]-2,3',5,6'-tetraoxo-[1,1'-bi(cyclohexane)]-1(6),1',3,4'-tetraen-3-yl}-2-methylhept-2-en-1-yl (2r)-2-methylbutanoate)

3D Structure for NP0320955 ((2z,6s)-6-{4,4'-dihydroxy-2',6-dimethyl-5'-[(2s,5z)-6-methyl-7-{[(2r)-2-methylbutanoyl]oxy}hept-5-en-2-yl]-2,3',5,6'-tetraoxo-[1,1'-bi(cyclohexane)]-1(6),1',3,4'-tetraen-3-yl}-2-methylhept-2-en-1-yl (2r)-2-methylbutanoate)