NP-MRD: Showing NP-Card for (2s)-2-[(1r,3r,6r,10s,11s,12r,14r)-10,12-dihydroxy-14-(hydroxymethyl)-3,10-dimethyltricyclo[9.3.0.0³,⁷]tetradec-7-en-6-yl]propyl (2r)-2-[(2r,3r,5r,6s)-2-hydroxy-3,5-dimethyl-6-[(2s)-3-oxopentan-2-yl]oxan-2-yl]propanoate (NP0206630)

Jump To Section:

Identification Spectra BioTaxonomy ChemoTaxonomy Physical properties Links References XML

Record Information

Version

2.0

Created at

2022-09-05 02:56:48 UTC

Updated at

2022-09-05 02:56:49 UTC

NP-MRD ID

NP0206630

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(2s)-2-[(1r,3r,6r,10s,11s,12r,14r)-10,12-dihydroxy-14-(hydroxymethyl)-3,10-dimethyltricyclo[9.3.0.0³,⁷]tetradec-7-en-6-yl]propyl (2r)-2-[(2r,3r,5r,6s)-2-hydroxy-3,5-dimethyl-6-[(2s)-3-oxopentan-2-yl]oxan-2-yl]propanoate

Description

Isofusicomycin A belongs to the class of organic compounds known as oxanes. Oxanes are compounds containing an oxane (tetrahydropyran) ring, which is a six-member saturated aliphatic heterocycle with one oxygen atom and five carbon atoms. (2s)-2-[(1r,3r,6r,10s,11s,12r,14r)-10,12-dihydroxy-14-(hydroxymethyl)-3,10-dimethyltricyclo[9.3.0.0³,⁷]tetradec-7-en-6-yl]propyl (2r)-2-[(2r,3r,5r,6s)-2-hydroxy-3,5-dimethyl-6-[(2s)-3-oxopentan-2-yl]oxan-2-yl]propanoate is found in Streptomyces violascens. Based on a literature review very few articles have been published on Isofusicomycin A.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309052204562D          

 43 46  0  0  1  0            999 V2000
   -0.3825   -1.8681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4299   -1.7248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9602   -2.3568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6781   -3.1320    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7727   -2.2135    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.0549   -1.4383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3030   -2.8455    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.1155   -2.7023    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458   -3.3342    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.1761   -2.7023    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3602   -3.7467    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.3602   -4.5717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0747   -3.3342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0747   -2.5092    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7892   -3.7467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5036   -3.3342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2181   -3.7467    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2181   -4.5717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9326   -3.3342    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.0188   -2.5138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8258   -2.3422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2383   -3.0567    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.6319   -2.3317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0622   -3.0135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6752   -3.5656    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.7184   -4.3894    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.5153   -4.6030    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.8110   -5.3732    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9646   -3.9111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4455   -3.2699    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.6590   -2.4730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0756   -1.8897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1664   -5.0025    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.9015   -5.3771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9949   -5.8095    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3425   -5.0457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7294   -4.4937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6863   -3.6698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3636   -4.1095    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.8939   -4.7415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5511   -4.2528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0208   -3.6208    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2084   -3.7640    0.0000 C   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  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  1  0  0  0
  7  5  1  1  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  6  0  0  0
  9 11  1  1  0  0  0
 11 12  1  6  0  0  0
 11 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  6  0  0  0
 19 17  1  1  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  1  0  0  0
 22 24  1  0  0  0  0
 25 24  1  6  0  0  0
 26 25  1  1  0  0  0
 26 27  1  0  0  0  0
 27 28  1  1  0  0  0
 27 29  1  0  0  0  0
 29 30  1  0  0  0  0
 25 30  1  0  0  0  0
 30 31  1  6  0  0  0
 31 32  1  0  0  0  0
 26 33  1  0  0  0  0
 33 34  1  6  0  0  0
 33 35  1  1  0  0  0
 33 36  1  0  0  0  0
 37 36  1  4  0  0  0
 37 38  2  0  0  0  0
 19 38  1  0  0  0  0
 22 38  1  0  0  0  0
  9 39  1  0  0  0  0
 39 40  1  6  0  0  0
 39 41  1  0  0  0  0
 41 42  1  0  0  0  0
  7 42  1  0  0  0  0
 42 43  1  1  0  0  0
M  END

     RDKit          3D

101104  0  0  0  0  0  0  0  0999 V2000
  -10.5666   -2.8089    0.7378 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9836   -1.7597   -0.1777 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5211   -1.5880    0.1221 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0565   -2.2822    1.0047 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6983   -0.6129   -0.6356 C   0  0  1  0  0  0  0  0  0  0  0  0
   -8.3454    0.7468   -0.4550 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2892   -0.6539   -0.1999 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.4778    0.2405   -0.9172 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1528   -0.1762   -0.8829 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.0560   -1.2711   -1.7389 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3659    0.9578   -1.5471 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.5169    2.2642   -0.8165 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9297    0.6288   -1.7073 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4731    0.6480   -2.9016 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1129    0.3159   -0.6333 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2524    0.0096   -0.7681 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9854    1.1871   -1.2914 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.7790    2.3146   -0.2668 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4117    0.9667   -1.6379 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.0783    2.2364   -2.1609 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9551    2.7288   -1.0634 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1955    1.5526   -0.1809 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.9349    1.9708    1.2491 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6626    1.1436   -0.3576 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1124    0.1884    0.6908 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.3412   -1.2015    0.1841 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.4760   -1.7671    1.0223 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.9768   -2.2067    2.2468 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3545   -0.5717    1.2976 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4359    0.6284    1.2490 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.1376    1.7099    0.4964 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4245    1.3838   -0.8117 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2228   -2.1461    0.2001 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.9391   -2.5766   -1.2490 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5644   -3.3559    0.8531 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9196   -1.7104    0.7725 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2396   -0.8130   -0.2023 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2981    0.4472   -0.6052 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6464   -0.5565    0.4437 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.7758   -1.8185    0.4023 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6292   -0.7612    1.5459 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0305   -0.2698    1.2416 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.9981    1.2416    1.4309 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.6698   -2.8096    0.7297 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1728   -3.8046    0.4383 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2537   -2.6316    1.7884 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0652   -2.0916   -1.2463 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5472   -0.8198   -0.0494 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7329   -0.8281   -1.7225 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3913    0.6429   -0.8718 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8806    1.5270   -1.1001 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4698    1.0292    0.5891 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8715   -1.6623   -0.3561 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2297   -1.1773   -2.2729 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7795    1.1366   -2.5781 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4237    2.8222   -1.0861 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3592    2.1777    0.2785 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6603    2.9127   -1.1686 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5895   -0.3131    0.2455 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2670   -0.8667   -1.4851 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4508    1.5701   -2.1936 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3429    2.4477   -0.1898 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0951    2.0397    0.7355 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1341    3.2809   -0.6538 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4527    0.2507   -2.5071 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3198    2.9791   -2.4827 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7168    2.0359   -3.0469 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9352    3.1026   -1.4522 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4957    3.5453   -0.4637 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4457    1.1842    1.8434 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2910    2.8521    1.2496 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9121    2.1994    1.7057 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2230    2.0738   -0.4580 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6674    0.5739   -1.3344 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4062    0.1498    1.5658 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7899   -1.0814   -0.8473 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0214   -2.5621    0.4744 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0285   -1.4832    2.9233 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1419   -0.5473    0.5166 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8788   -0.6616    2.2740 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3209    0.9932    2.3187 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1655    1.7831    0.9896 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7363    2.7321    0.6507 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4650    2.1746   -1.4104 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0598   -3.2525   -1.1931 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8013   -3.1455   -1.6108 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6970   -1.6812   -1.8572 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8962   -4.0384    0.6643 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2995   -2.6252    0.9094 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9804   -1.2701    1.7858 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4685   -1.3921   -0.7416 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9425    0.2530    0.8005 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3507   -2.6950    0.7847 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8909   -1.7288    1.0321 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4565   -2.0757   -0.6229 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3324   -0.2365    2.5018 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7310   -1.8348    1.8436 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7575   -0.6899    1.9237 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0369    1.5905    1.8834 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7707    1.5459    2.1967 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1050    1.7970    0.4845 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  5  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  6
  9 11  1  0
 11 12  1  0
 11 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 17 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  1
 22 24  1  0
 24 25  1  0
 25 30  1  0
 30 31  1  0
 31 32  1  0
 30 29  1  0
 29 27  1  0
 27 28  1  0
 27 26  1  0
 26 33  1  0
 33 34  1  0
 33 35  1  1
 33 36  1  0
 36 37  1  0
 37 38  2  0
  9 39  1  0
 39 40  1  0
 39 41  1  0
 41 42  1  0
 42 43  1  0
 42  7  1  0
 38 19  1  0
 38 22  1  0
 26 25  1  0
  1 44  1  0
  1 45  1  0
  1 46  1  0
  2 47  1  0
  2 48  1  0
  5 49  1  6
  6 50  1  0
  6 51  1  0
  6 52  1  0
  7 53  1  1
 10 54  1  0
 11 55  1  6
 12 56  1  0
 12 57  1  0
 12 58  1  0
 16 59  1  0
 16 60  1  0
 17 61  1  6
 18 62  1  0
 18 63  1  0
 18 64  1  0
 19 65  1  6
 20 66  1  0
 20 67  1  0
 21 68  1  0
 21 69  1  0
 23 70  1  0
 23 71  1  0
 23 72  1  0
 24 73  1  0
 24 74  1  0
 25 75  1  1
 30 81  1  1
 31 82  1  0
 31 83  1  0
 32 84  1  0
 29 79  1  0
 29 80  1  0
 27 77  1  6
 28 78  1  0
 26 76  1  6
 34 85  1  0
 34 86  1  0
 34 87  1  0
 35 88  1  0
 36 89  1  0
 36 90  1  0
 37 91  1  0
 39 92  1  1
 40 93  1  0
 40 94  1  0
 40 95  1  0
 41 96  1  0
 41 97  1  0
 42 98  1  1
 43 99  1  0
 43100  1  0
 43101  1  0
M  END


  Mrv1652309052204562D          

 43 46  0  0  1  0            999 V2000
   -0.3825   -1.8681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4299   -1.7248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9602   -2.3568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6781   -3.1320    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7727   -2.2135    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.0549   -1.4383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3030   -2.8455    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.1155   -2.7023    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458   -3.3342    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.1761   -2.7023    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3602   -3.7467    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.3602   -4.5717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0747   -3.3342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0747   -2.5092    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7892   -3.7467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5036   -3.3342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2181   -3.7467    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2181   -4.5717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9326   -3.3342    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.0188   -2.5138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8258   -2.3422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2383   -3.0567    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.6319   -2.3317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0622   -3.0135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6752   -3.5656    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.7184   -4.3894    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.5153   -4.6030    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.8110   -5.3732    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9646   -3.9111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4455   -3.2699    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.6590   -2.4730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0756   -1.8897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1664   -5.0025    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.9015   -5.3771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9949   -5.8095    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3425   -5.0457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7294   -4.4937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6863   -3.6698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3636   -4.1095    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.8939   -4.7415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5511   -4.2528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0208   -3.6208    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2084   -3.7640    0.0000 C   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  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  1  0  0  0
  7  5  1  1  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  6  0  0  0
  9 11  1  1  0  0  0
 11 12  1  6  0  0  0
 11 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  6  0  0  0
 19 17  1  1  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  1  0  0  0
 22 24  1  0  0  0  0
 25 24  1  6  0  0  0
 26 25  1  1  0  0  0
 26 27  1  0  0  0  0
 27 28  1  1  0  0  0
 27 29  1  0  0  0  0
 29 30  1  0  0  0  0
 25 30  1  0  0  0  0
 30 31  1  6  0  0  0
 31 32  1  0  0  0  0
 26 33  1  0  0  0  0
 33 34  1  6  0  0  0
 33 35  1  1  0  0  0
 33 36  1  0  0  0  0
 37 36  1  4  0  0  0
 37 38  2  0  0  0  0
 19 38  1  0  0  0  0
 22 38  1  0  0  0  0
  9 39  1  0  0  0  0
 39 40  1  6  0  0  0
 39 41  1  0  0  0  0
 41 42  1  0  0  0  0
  7 42  1  0  0  0  0
 42 43  1  1  0  0  0
M  END
> <DATABASE_ID>
NP0206630

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CCC(=O)[C@@H](C)[C@H]1O[C@@](O)([C@@H](C)C(=O)OC[C@@H](C)[C@H]2CC[C@]3(C)C[C@@H]4[C@H](CO)C[C@@H](O)[C@H]4[C@@](C)(O)CC=C23)[C@H](C)C[C@H]1C

> <INCHI_IDENTIFIER>
InChI=1S/C35H58O8/c1-9-28(37)22(5)31-19(2)14-21(4)35(41,43-31)23(6)32(39)42-18-20(3)25-10-12-33(7)16-26-24(17-36)15-29(38)30(26)34(8,40)13-11-27(25)33/h11,19-26,29-31,36,38,40-41H,9-10,12-18H2,1-8H3/t19-,20-,21-,22-,23+,24+,25-,26-,29-,30+,31+,33-,34+,35-/m1/s1

> <INCHI_KEY>
HJMPLLRXUQKGPD-YAHGRDNBSA-N

> <FORMULA>
C35H58O8

> <MOLECULAR_WEIGHT>
606.841

> <EXACT_MASS>
606.413168828

> <JCHEM_ACCEPTOR_COUNT>
7

> <JCHEM_ATOM_COUNT>
101

> <JCHEM_AVERAGE_POLARIZABILITY>
69.44579341772676

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2S)-2-[(1R,3R,6R,10S,11S,12R,14R)-10,12-dihydroxy-14-(hydroxymethyl)-3,10-dimethyltricyclo[9.3.0.0^{3,7}]tetradec-7-en-6-yl]propyl (2R)-2-[(2R,3R,5R,6S)-2-hydroxy-3,5-dimethyl-6-[(2S)-3-oxopentan-2-yl]oxan-2-yl]propanoate

> <JCHEM_LOGP>
4.506562845666664

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
14.38470028857683

> <JCHEM_PKA_STRONGEST_ACIDIC>
11.41462871876713

> <JCHEM_PKA_STRONGEST_BASIC>
-2.598660783390037

> <JCHEM_POLAR_SURFACE_AREA>
133.52

> <JCHEM_REFRACTIVITY>
166.04010000000005

> <JCHEM_ROTATABLE_BOND_COUNT>
10

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(2S)-2-[(1R,3R,6R,10S,11S,12R,14R)-10,12-dihydroxy-14-(hydroxymethyl)-3,10-dimethyltricyclo[9.3.0.0^{3,7}]tetradec-7-en-6-yl]propyl (2R)-2-[(2R,3R,5R,6S)-2-hydroxy-3,5-dimethyl-6-[(2S)-3-oxopentan-2-yl]oxan-2-yl]propanoate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 05-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   05-SEP-22         0                                  
HETATM    1  C   UNK     0      -0.714  -3.487   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       0.803  -3.220   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       1.792  -4.399   0.000  0.00  0.00           C+0
HETATM    4  O   UNK     0       1.266  -5.846   0.000  0.00  0.00           O+0
HETATM    5  C   UNK     0       3.309  -4.132   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       3.836  -2.685   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       4.299  -5.312   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0       5.816  -5.044   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0       6.805  -6.224   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0       7.795  -5.044   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0       8.139  -6.994   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       8.139  -8.534   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       9.473  -6.224   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0       9.473  -4.684   0.000  0.00  0.00           O+0
HETATM   15  O   UNK     0      10.806  -6.994   0.000  0.00  0.00           O+0
HETATM   16  C   UNK     0      12.140  -6.224   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      13.474  -6.994   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      13.474  -8.534   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      14.807  -6.224   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      14.968  -4.692   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      16.475  -4.372   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      17.245  -5.706   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      17.980  -4.352   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      18.783  -5.625   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      19.927  -6.656   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      20.008  -8.194   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      21.495  -8.592   0.000  0.00  0.00           C+0
HETATM   28  O   UNK     0      22.047 -10.030   0.000  0.00  0.00           O+0
HETATM   29  C   UNK     0      22.334  -7.301   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      21.365  -6.104   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      21.763  -4.616   0.000  0.00  0.00           C+0
HETATM   32  O   UNK     0      20.674  -3.527   0.000  0.00  0.00           O+0
HETATM   33  C   UNK     0      18.977  -9.338   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      20.349 -10.037   0.000  0.00  0.00           C+0
HETATM   35  O   UNK     0      18.657 -10.844   0.000  0.00  0.00           O+0
HETATM   36  C   UNK     0      17.439  -9.419   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0      16.295  -8.388   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0      16.214  -6.850   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0       6.279  -7.671   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0       7.269  -8.851   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0       4.762  -7.938   0.000  0.00  0.00           C+0
HETATM   42  C   UNK     0       3.772  -6.759   0.000  0.00  0.00           C+0
HETATM   43  C   UNK     0       2.256  -7.026   0.000  0.00  0.00           C+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   42                                                  
CONECT    8    7    9                                                       
CONECT    9    8   10   11   39                                             
CONECT   10    9                                                            
CONECT   11    9   12   13                                                  
CONECT   12   11                                                            
CONECT   13   11   14   15                                                  
CONECT   14   13                                                            
CONECT   15   13   16                                                       
CONECT   16   15   17                                                       
CONECT   17   16   18   19                                                  
CONECT   18   17                                                            
CONECT   19   17   20   38                                                  
CONECT   20   19   21                                                       
CONECT   21   20   22                                                       
CONECT   22   21   23   24   38                                             
CONECT   23   22                                                            
CONECT   24   22   25                                                       
CONECT   25   24   26   30                                                  
CONECT   26   25   27   33                                                  
CONECT   27   26   28   29                                                  
CONECT   28   27                                                            
CONECT   29   27   30                                                       
CONECT   30   29   25   31                                                  
CONECT   31   30   32                                                       
CONECT   32   31                                                            
CONECT   33   26   34   35   36                                             
CONECT   34   33                                                            
CONECT   35   33                                                            
CONECT   36   33   37                                                       
CONECT   37   36   38                                                       
CONECT   38   37   19   22                                                  
CONECT   39    9   40   41                                                  
CONECT   40   39                                                            
CONECT   41   39   42                                                       
CONECT   42   41    7   43                                                  
CONECT   43   42                                                            
MASTER        0    0    0    0    0    0    0    0   43    0   92    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₃₅H₅₈O₈

Average Mass

606.8410 Da

Monoisotopic Mass

606.41317 Da

IUPAC Name

(2S)-2-[(1R,3R,6R,10S,11S,12R,14R)-10,12-dihydroxy-14-(hydroxymethyl)-3,10-dimethyltricyclo[9.3.0.0^{3,7}]tetradec-7-en-6-yl]propyl (2R)-2-[(2R,3R,5R,6S)-2-hydroxy-3,5-dimethyl-6-[(2S)-3-oxopentan-2-yl]oxan-2-yl]propanoate

Traditional Name

CAS Registry Number

Not Available

SMILES

CCC(=O)[C@@H](C)[C@H]1O[C@@](O)([C@@H](C)C(=O)OC[C@@H](C)[C@H]2CC[C@]3(C)C[C@@H]4[C@H](CO)C[C@@H](O)[C@H]4[C@@](C)(O)CC=C23)[C@H](C)C[C@H]1C

InChI Identifier

InChI=1S/C35H58O8/c1-9-28(37)22(5)31-19(2)14-21(4)35(41,43-31)23(6)32(39)42-18-20(3)25-10-12-33(7)16-26-24(17-36)15-29(38)30(26)34(8,40)13-11-27(25)33/h11,19-26,29-31,36,38,40-41H,9-10,12-18H2,1-8H3/t19-,20-,21-,22-,23+,24+,25-,26-,29-,30+,31+,33-,34+,35-/m1/s1

InChI Key

HJMPLLRXUQKGPD-YAHGRDNBSA-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
Streptomyces violascens	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as oxanes. Oxanes are compounds containing an oxane (tetrahydropyran) ring, which is a six-member saturated aliphatic heterocycle with one oxygen atom and five carbon atoms.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Oxanes

Sub Class

Not Available

Direct Parent

Oxanes

Alternative Parents

Substituents

Oxane
Tertiary alcohol
Cyclic alcohol
Secondary alcohol
Ketone
Hemiacetal
Carboxylic acid ester
Oxacycle
Monocarboxylic acid or derivatives
Carboxylic acid derivative
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
Primary alcohol
Organooxygen compound
Carbonyl group
Alcohol
Aliphatic heteropolycyclic compound

Molecular Framework

Aliphatic heteropolycyclic compounds

External Descriptors

Not Available

Physical Properties

State

Not Available

Experimental Properties

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

Predicted Properties

Property	Value	Source
logP	4.51	ChemAxon
pKa (Strongest Acidic)	11.41	ChemAxon
pKa (Strongest Basic)	-2.6	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	7	ChemAxon
Hydrogen Donor Count	4	ChemAxon
Polar Surface Area	133.52 Å²	ChemAxon
Rotatable Bond Count	10	ChemAxon
Refractivity	166.04 m³·mol⁻¹	ChemAxon
Polarizability	69.45 Å³	ChemAxon
Number of Rings	4	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	Yes	ChemAxon

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

139589675

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for (2s)-2-[(1r,3r,6r,10s,11s,12r,14r)-10,12-dihydroxy-14-(hydroxymethyl)-3,10-dimethyltricyclo[9.3.0.0³,⁷]tetradec-7-en-6-yl]propyl (2r)-2-[(2r,3r,5r,6s)-2-hydroxy-3,5-dimethyl-6-[(2s)-3-oxopentan-2-yl]oxan-2-yl]propanoate (NP0206630)

MOL for NP0206630 ((2s)-2-[(1r,3r,6r,10s,11s,12r,14r)-10,12-dihydroxy-14-(hydroxymethyl)-3,10-dimethyltricyclo[9.3.0.0³,⁷]tetradec-7-en-6-yl]propyl (2r)-2-[(2r,3r,5r,6s)-2-hydroxy-3,5-dimethyl-6-[(2s)-3-oxopentan-2-yl]oxan-2-yl]propanoate)

3D MOL for NP0206630 ((2s)-2-[(1r,3r,6r,10s,11s,12r,14r)-10,12-dihydroxy-14-(hydroxymethyl)-3,10-dimethyltricyclo[9.3.0.0³,⁷]tetradec-7-en-6-yl]propyl (2r)-2-[(2r,3r,5r,6s)-2-hydroxy-3,5-dimethyl-6-[(2s)-3-oxopentan-2-yl]oxan-2-yl]propanoate)

3D SDF for NP0206630 ((2s)-2-[(1r,3r,6r,10s,11s,12r,14r)-10,12-dihydroxy-14-(hydroxymethyl)-3,10-dimethyltricyclo[9.3.0.0³,⁷]tetradec-7-en-6-yl]propyl (2r)-2-[(2r,3r,5r,6s)-2-hydroxy-3,5-dimethyl-6-[(2s)-3-oxopentan-2-yl]oxan-2-yl]propanoate)

3D-SDF for NP0206630 ((2s)-2-[(1r,3r,6r,10s,11s,12r,14r)-10,12-dihydroxy-14-(hydroxymethyl)-3,10-dimethyltricyclo[9.3.0.0³,⁷]tetradec-7-en-6-yl]propyl (2r)-2-[(2r,3r,5r,6s)-2-hydroxy-3,5-dimethyl-6-[(2s)-3-oxopentan-2-yl]oxan-2-yl]propanoate)

PDB for NP0206630 ((2s)-2-[(1r,3r,6r,10s,11s,12r,14r)-10,12-dihydroxy-14-(hydroxymethyl)-3,10-dimethyltricyclo[9.3.0.0³,⁷]tetradec-7-en-6-yl]propyl (2r)-2-[(2r,3r,5r,6s)-2-hydroxy-3,5-dimethyl-6-[(2s)-3-oxopentan-2-yl]oxan-2-yl]propanoate)

3D PDB for NP0206630 ((2s)-2-[(1r,3r,6r,10s,11s,12r,14r)-10,12-dihydroxy-14-(hydroxymethyl)-3,10-dimethyltricyclo[9.3.0.0³,⁷]tetradec-7-en-6-yl]propyl (2r)-2-[(2r,3r,5r,6s)-2-hydroxy-3,5-dimethyl-6-[(2s)-3-oxopentan-2-yl]oxan-2-yl]propanoate)

SMILES for NP0206630 ((2s)-2-[(1r,3r,6r,10s,11s,12r,14r)-10,12-dihydroxy-14-(hydroxymethyl)-3,10-dimethyltricyclo[9.3.0.0³,⁷]tetradec-7-en-6-yl]propyl (2r)-2-[(2r,3r,5r,6s)-2-hydroxy-3,5-dimethyl-6-[(2s)-3-oxopentan-2-yl]oxan-2-yl]propanoate)

INCHI for NP0206630 ((2s)-2-[(1r,3r,6r,10s,11s,12r,14r)-10,12-dihydroxy-14-(hydroxymethyl)-3,10-dimethyltricyclo[9.3.0.0³,⁷]tetradec-7-en-6-yl]propyl (2r)-2-[(2r,3r,5r,6s)-2-hydroxy-3,5-dimethyl-6-[(2s)-3-oxopentan-2-yl]oxan-2-yl]propanoate)

Structure for NP0206630 ((2s)-2-[(1r,3r,6r,10s,11s,12r,14r)-10,12-dihydroxy-14-(hydroxymethyl)-3,10-dimethyltricyclo[9.3.0.0³,⁷]tetradec-7-en-6-yl]propyl (2r)-2-[(2r,3r,5r,6s)-2-hydroxy-3,5-dimethyl-6-[(2s)-3-oxopentan-2-yl]oxan-2-yl]propanoate)

3D Structure for NP0206630 ((2s)-2-[(1r,3r,6r,10s,11s,12r,14r)-10,12-dihydroxy-14-(hydroxymethyl)-3,10-dimethyltricyclo[9.3.0.0³,⁷]tetradec-7-en-6-yl]propyl (2r)-2-[(2r,3r,5r,6s)-2-hydroxy-3,5-dimethyl-6-[(2s)-3-oxopentan-2-yl]oxan-2-yl]propanoate)