NP-MRD: Showing NP-Card for methyl 2-{2,12-dihydroxy-4-[3-methoxy-4,8-dimethyl-9-(2-methyl-1,3-oxazol-4-yl)nona-4,6,8-trien-2-yl]-1,13-dimethyl-6-oxo-5,17-dioxabicyclo[14.1.0]heptadeca-7,14-dien-10-yl}acetate (NP0162236)

Jump To Section:

Identification Spectra BioTaxonomy ChemoTaxonomy Physical properties Links References XML

Record Information

Version

2.0

Created at

2022-09-02 20:35:24 UTC

Updated at

2022-09-02 20:35:24 UTC

NP-MRD ID

NP0162236

Secondary Accession Numbers

None

Natural Product Identification

Common Name

methyl 2-{2,12-dihydroxy-4-[3-methoxy-4,8-dimethyl-9-(2-methyl-1,3-oxazol-4-yl)nona-4,6,8-trien-2-yl]-1,13-dimethyl-6-oxo-5,17-dioxabicyclo[14.1.0]heptadeca-7,14-dien-10-yl}acetate

Description

Methyl 2-{2,12-dihydroxy-4-[3-methoxy-4,8-dimethyl-9-(2-methyl-1,3-oxazol-4-yl)nona-4,6,8-trien-2-yl]-1,13-dimethyl-6-oxo-5,17-dioxabicyclo[14.1.0]Heptadeca-7,14-dien-10-yl}acetate belongs to the class of organic compounds known as terpene lactones. These are prenol lipids containing a lactone ring. Methyl 2-{2,12-dihydroxy-4-[3-methoxy-4,8-dimethyl-9-(2-methyl-1,3-oxazol-4-yl)nona-4,6,8-trien-2-yl]-1,13-dimethyl-6-oxo-5,17-dioxabicyclo[14.1.0]Heptadeca-7,14-dien-10-yl}acetate is an extremely weak basic (essentially neutral) compound (based on its pKa).

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1533004161506372D          

 46 48  0  0  0  0            999 V2000
    3.4065   -2.5954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9442   -1.9121    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1213   -1.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6590   -1.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8361   -1.3462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0196   -0.5455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5573    0.1378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7344    0.0791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3738   -0.6629    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2721    0.7624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4112    0.3001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1902    1.4457    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6327    1.5044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4556    1.5631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8162    2.3052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6391    2.3639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1014    1.6806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9997    3.1059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5374    3.7892    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8226    3.1646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2849    2.4813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1078    2.5400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4684    3.2821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2913    3.3408    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0061    3.9654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1832    3.9066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9243    1.7393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3866    1.0560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0260    0.3140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2031    0.2553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7408    0.9386    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8425   -0.4868    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7607   -2.7128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9378   -2.7715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5772   -3.5136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2457   -3.5723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6063   -4.3143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4292   -4.3730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7898   -5.1150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4015   -5.8429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9737   -6.4372    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7157   -6.0766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4436   -6.4649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6021   -5.2595    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1440   -4.9976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2230   -3.3961    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  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 10 13  1  0  0  0  0
 14 13  1  4  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 21 27  1  0  0  0  0
 28 27  1  4  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 30 32  1  0  0  0  0
  6 32  1  0  0  0  0
  3 33  1  0  0  0  0
 33 34  2  0  0  0  0
 34 35  1  4  0  0  0
 35 36  2  0  0  0  0
 36 37  1  4  0  0  0
 37 38  2  0  0  0  0
 38 39  1  4  0  0  0
 39 40  2  0  0  0  0
 40 41  1  0  0  0  0
 41 42  1  0  0  0  0
 42 43  1  0  0  0  0
 42 44  2  0  0  0  0
 39 44  1  0  0  0  0
 37 45  1  0  0  0  0
 33 46  1  0  0  0  0
M  END

     RDKit          3D

 97 99  0  0  0  0  0  0  0  0999 V2000
   -7.7155   -4.1330    3.0209 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5242   -3.5193    2.5140 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5629   -2.7082    1.3798 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6665   -2.5382    0.8302 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3216   -2.0973    0.8883 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1860   -0.6800    1.3286 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.7681   -0.2143    1.0419 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3041   -0.7058   -0.2864 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1643   -1.3091   -0.5297 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0910   -1.6441    0.3904 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9886   -2.9219    0.6259 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2998   -0.7199    0.9282 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3299    0.4544    0.6456 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.3557    0.5017   -0.4303 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.1530    1.7898   -0.4578 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2570   -0.6920   -0.5826 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.4998   -1.8371   -0.5530 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3952   -2.5051   -1.7522 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4402   -0.7290    0.2696 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3369   -0.8036    1.7250 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6637   -0.7078   -0.2903 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8976   -0.7387    0.4645 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1237   -0.7324    0.0758 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7467   -0.6945   -1.2126 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9640   -0.6489   -2.4675 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0808   -0.6939   -1.3455 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0169   -0.7281   -0.2459 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1874   -1.5039   -0.2008 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8025   -1.2697    0.9257 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1256   -0.4014    1.6199 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5492    0.0999    2.9771 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0375   -0.0616    0.9232 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5365    1.6917    0.7012 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1687    2.1173   -0.5886 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.3076    3.0862   -1.1663 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4590    2.8697   -0.3869 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.5854    3.6594    0.9060 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7312    3.7208   -1.5733 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5753    2.5772   -1.1325 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.8232    3.1287   -0.5372 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0198    2.5694   -0.6641 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3224    1.3362   -1.3989 C   0  0  2  0  0  0  0  0  0  0  0  0
   -7.4666    1.6181   -2.3923 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7105    0.1664   -0.5137 C   0  0  2  0  0  0  0  0  0  0  0  0
   -8.1291    0.1920   -0.4827 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2446    0.2587    0.8887 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8737   -3.9081    4.0768 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5514   -3.8379    2.3587 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5671   -5.2283    2.8937 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4611   -2.6629    1.3283 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1832   -2.2273   -0.2086 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2359   -0.7123    2.4631 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0918   -0.6857    1.7952 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6979    0.8582    1.1854 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0158   -0.5276   -1.1286 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0511   -1.6129   -1.6061 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9789    0.6146    1.5903 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7442    0.5247   -1.3865 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2181    1.4711   -0.2212 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2259    2.1354   -1.4898 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9002    2.5067    0.3121 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6044   -0.6266   -1.6843 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9410   -1.9172   -2.5727 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3417   -2.9909   -2.0675 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6792   -3.3564   -1.5746 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6814    0.1159    2.2146 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3479   -1.1778    2.0797 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0392   -1.6428    2.0542 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7504   -0.6648   -1.3635 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7392   -0.7623    1.5818 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8531   -0.7673    0.9497 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3828   -1.5651   -2.6795 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3960    0.2975   -2.6021 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7054   -0.5939   -3.3489 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5365   -0.6702   -2.3488 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4895   -2.1738   -0.9965 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2567   -0.6330    3.4489 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0536    1.0753    2.8075 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6755    0.1990    3.6214 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3593    1.4618    1.4147 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0606    2.5026    1.1616 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2133    1.3039   -1.3121 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1927    3.8479   -0.5345 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6353    3.5736    1.4812 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7262    4.7425    0.7511 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4186    3.2934    1.5325 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6158    1.7886   -1.9012 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7382    4.0688    0.0499 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8436    3.1046   -0.1568 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4681    1.0919   -2.0561 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4274    1.7560   -1.8915 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4752    0.7093   -3.0398 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2193    2.4700   -3.0325 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4444   -0.7450   -1.0607 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4604    0.7660    0.2509 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0972    0.2144    1.6300 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8281    1.2977    1.0436 H   0  0  0  0  0  0  0  0  0  0  0  0
 18 17  1  0
 17 16  1  0
 16 14  1  0
 14 15  1  0
 14 13  1  0
 13 33  1  0
 33 34  1  0
 34 35  1  0
 34 36  1  0
 36 37  1  1
 36 38  1  0
 38 39  1  0
 39 40  1  0
 40 41  2  0
 41 42  1  0
 42 43  1  0
 42 44  1  0
 44 45  1  0
 44 46  1  0
 46  6  1  0
  6  5  1  0
  5  3  1  0
  3  4  2  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  2  0
 10 12  1  0
 16 19  1  0
 19 20  1  0
 19 21  2  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  1  0
 24 26  2  0
 26 27  1  0
 27 28  2  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 30 32  2  0
 12 13  1  0
 32 27  1  0
 39 36  1  0
 18 63  1  0
 18 64  1  0
 18 65  1  0
 16 62  1  6
 14 58  1  6
 15 59  1  0
 15 60  1  0
 15 61  1  0
 13 57  1  1
 33 80  1  0
 33 81  1  0
 34 82  1  6
 35 83  1  0
 37 84  1  0
 37 85  1  0
 37 86  1  0
 39 87  1  6
 40 88  1  0
 41 89  1  0
 42 90  1  6
 43 91  1  0
 43 92  1  0
 43 93  1  0
 44 94  1  6
 45 95  1  0
 46 96  1  0
 46 97  1  0
  6 52  1  1
  5 50  1  0
  5 51  1  0
  1 47  1  0
  1 48  1  0
  1 49  1  0
  7 53  1  0
  7 54  1  0
  8 55  1  0
  9 56  1  0
 20 66  1  0
 20 67  1  0
 20 68  1  0
 21 69  1  0
 22 70  1  0
 23 71  1  0
 25 72  1  0
 25 73  1  0
 25 74  1  0
 26 75  1  0
 28 76  1  0
 31 77  1  0
 31 78  1  0
 31 79  1  0
M  END


  Mrv1533004161506372D          

 46 48  0  0  0  0            999 V2000
    3.4065   -2.5954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9442   -1.9121    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1213   -1.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6590   -1.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8361   -1.3462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0196   -0.5455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5573    0.1378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7344    0.0791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3738   -0.6629    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2721    0.7624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4112    0.3001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1902    1.4457    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6327    1.5044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4556    1.5631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8162    2.3052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6391    2.3639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1014    1.6806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9997    3.1059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5374    3.7892    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8226    3.1646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2849    2.4813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1078    2.5400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4684    3.2821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2913    3.3408    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0061    3.9654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1832    3.9066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9243    1.7393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3866    1.0560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0260    0.3140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2031    0.2553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7408    0.9386    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8425   -0.4868    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7607   -2.7128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9378   -2.7715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5772   -3.5136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2457   -3.5723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6063   -4.3143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4292   -4.3730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7898   -5.1150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4015   -5.8429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9737   -6.4372    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7157   -6.0766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4436   -6.4649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6021   -5.2595    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1440   -4.9976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2230   -3.3961    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  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 10 13  1  0  0  0  0
 14 13  1  4  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 21 27  1  0  0  0  0
 28 27  1  4  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 30 32  1  0  0  0  0
  6 32  1  0  0  0  0
  3 33  1  0  0  0  0
 33 34  2  0  0  0  0
 34 35  1  4  0  0  0
 35 36  2  0  0  0  0
 36 37  1  4  0  0  0
 37 38  2  0  0  0  0
 38 39  1  4  0  0  0
 39 40  2  0  0  0  0
 40 41  1  0  0  0  0
 41 42  1  0  0  0  0
 42 43  1  0  0  0  0
 42 44  2  0  0  0  0
 39 44  1  0  0  0  0
 37 45  1  0  0  0  0
 33 46  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0162236

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC(C(C)C1CC(O)C2(C)OC2C=CC(C)C(O)CC(CC(=O)OC)CC=CC(=O)O1)C(C)=CC=CC(C)=CC1=COC(C)=N1

> <INCHI_IDENTIFIER>
InChI=1S/C36H51NO9/c1-22(17-28-21-44-26(5)37-28)11-9-12-24(3)35(43-8)25(4)30-20-31(39)36(6)32(46-36)16-15-23(2)29(38)18-27(19-34(41)42-7)13-10-14-33(40)45-30/h9-12,14-17,21,23,25,27,29-32,35,38-39H,13,18-20H2,1-8H3

> <INCHI_KEY>
JYLNHIJYZROVQX-UHFFFAOYSA-N

> <FORMULA>
C36H51NO9

> <MOLECULAR_WEIGHT>
641.802

> <EXACT_MASS>
641.356382226

> <JCHEM_ACCEPTOR_COUNT>
7

> <JCHEM_ATOM_COUNT>
97

> <JCHEM_AVERAGE_POLARIZABILITY>
69.97764314257412

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
methyl 2-{2,12-dihydroxy-4-[3-methoxy-4,8-dimethyl-9-(2-methyl-1,3-oxazol-4-yl)nona-4,6,8-trien-2-yl]-1,13-dimethyl-6-oxo-5,17-dioxabicyclo[14.1.0]heptadeca-7,14-dien-10-yl}acetate

> <ALOGPS_LOGP>
5.06

> <JCHEM_LOGP>
4.21940592633333

> <ALOGPS_LOGS>
-4.66

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
18.298585292809168

> <JCHEM_PKA_STRONGEST_ACIDIC>
13.824293502517609

> <JCHEM_PKA_STRONGEST_BASIC>
0.5949792720026289

> <JCHEM_POLAR_SURFACE_AREA>
140.85000000000002

> <JCHEM_REFRACTIVITY>
178.67829999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
10

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.42e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
methyl 2-{2,12-dihydroxy-4-[3-methoxy-4,8-dimethyl-9-(2-methyl-1,3-oxazol-4-yl)nona-4,6,8-trien-2-yl]-1,13-dimethyl-6-oxo-5,17-dioxabicyclo[14.1.0]heptadeca-7,14-dien-10-yl}acetate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 16-APR-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   16-APR-15         0                                  
HETATM    1  C   UNK     0       6.359  -4.845   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0       5.496  -3.569   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0       3.960  -3.679   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       3.097  -2.403   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       1.561  -2.513   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       3.770  -1.018   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       2.907   0.257   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       1.371   0.148   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0       0.698  -1.237   0.000  0.00  0.00           O+0
HETATM   10  C   UNK     0       0.508   1.423   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -0.768   0.560   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0      -0.355   2.699   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0       1.181   2.808   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       2.717   2.918   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       3.390   4.303   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       4.926   4.413   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       5.789   3.137   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       5.599   5.798   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0       4.736   7.073   0.000  0.00  0.00           O+0
HETATM   20  C   UNK     0       7.135   5.907   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       7.998   4.632   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       9.535   4.741   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      10.208   6.127   0.000  0.00  0.00           C+0
HETATM   24  O   UNK     0      11.744   6.236   0.000  0.00  0.00           O+0
HETATM   25  O   UNK     0       9.345   7.402   0.000  0.00  0.00           O+0
HETATM   26  C   UNK     0       7.809   7.292   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       7.325   3.247   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       8.188   1.971   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       7.515   0.586   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       5.979   0.476   0.000  0.00  0.00           C+0
HETATM   31  O   UNK     0       5.116   1.752   0.000  0.00  0.00           O+0
HETATM   32  O   UNK     0       5.306  -0.909   0.000  0.00  0.00           O+0
HETATM   33  C   UNK     0       3.287  -5.064   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0       1.751  -5.174   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0       1.077  -6.559   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0      -0.459  -6.668   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0      -1.132  -8.053   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0      -2.668  -8.163   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0      -3.341  -9.548   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0      -2.616 -10.907   0.000  0.00  0.00           C+0
HETATM   41  O   UNK     0      -3.684 -12.016   0.000  0.00  0.00           O+0
HETATM   42  C   UNK     0      -5.069 -11.343   0.000  0.00  0.00           C+0
HETATM   43  C   UNK     0      -6.428 -12.068   0.000  0.00  0.00           C+0
HETATM   44  N   UNK     0      -4.857  -9.818   0.000  0.00  0.00           N+0
HETATM   45  C   UNK     0      -0.269  -9.329   0.000  0.00  0.00           C+0
HETATM   46  C   UNK     0       4.150  -6.339   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4   33                                                  
CONECT    4    3    5    6                                                  
CONECT    5    4                                                            
CONECT    6    4    7   32                                                  
CONECT    7    6    8                                                       
CONECT    8    7    9   10                                                  
CONECT    9    8                                                            
CONECT   10    8   11   12   13                                             
CONECT   11   10                                                            
CONECT   12   10   13                                                       
CONECT   13   12   10   14                                                  
CONECT   14   13   15                                                       
CONECT   15   14   16                                                       
CONECT   16   15   17   18                                                  
CONECT   17   16                                                            
CONECT   18   16   19   20                                                  
CONECT   19   18                                                            
CONECT   20   18   21                                                       
CONECT   21   20   22   27                                                  
CONECT   22   21   23                                                       
CONECT   23   22   24   25                                                  
CONECT   24   23                                                            
CONECT   25   23   26                                                       
CONECT   26   25                                                            
CONECT   27   21   28                                                       
CONECT   28   27   29                                                       
CONECT   29   28   30                                                       
CONECT   30   29   31   32                                                  
CONECT   31   30                                                            
CONECT   32   30    6                                                       
CONECT   33    3   34   46                                                  
CONECT   34   33   35                                                       
CONECT   35   34   36                                                       
CONECT   36   35   37                                                       
CONECT   37   36   38   45                                                  
CONECT   38   37   39                                                       
CONECT   39   38   40   44                                                  
CONECT   40   39   41                                                       
CONECT   41   40   42                                                       
CONECT   42   41   43   44                                                  
CONECT   43   42                                                            
CONECT   44   42   39                                                       
CONECT   45   37                                                            
CONECT   46   33                                                            
MASTER        0    0    0    0    0    0    0    0   46    0   96    0
END

View in JSmol

Synonyms

Value	Source
Methyl 2-{2,12-dihydroxy-4-[3-methoxy-4,8-dimethyl-9-(2-methyl-1,3-oxazol-4-yl)nona-4,6,8-trien-2-yl]-1,13-dimethyl-6-oxo-5,17-dioxabicyclo[14.1.0]heptadeca-7,14-dien-10-yl}acetic acid	Generator

Chemical Formula

C₃₆H₅₁NO₉

Average Mass

641.8020 Da

Monoisotopic Mass

641.35638 Da

IUPAC Name

methyl 2-{2,12-dihydroxy-4-[3-methoxy-4,8-dimethyl-9-(2-methyl-1,3-oxazol-4-yl)nona-4,6,8-trien-2-yl]-1,13-dimethyl-6-oxo-5,17-dioxabicyclo[14.1.0]heptadeca-7,14-dien-10-yl}acetate

Traditional Name

methyl 2-{2,12-dihydroxy-4-[3-methoxy-4,8-dimethyl-9-(2-methyl-1,3-oxazol-4-yl)nona-4,6,8-trien-2-yl]-1,13-dimethyl-6-oxo-5,17-dioxabicyclo[14.1.0]heptadeca-7,14-dien-10-yl}acetate

CAS Registry Number

Not Available

SMILES

COC(C(C)C1CC(O)C2(C)OC2C=CC(C)C(O)CC(CC(=O)OC)CC=CC(=O)O1)C(C)=CC=CC(C)=CC1=COC(C)=N1

InChI Identifier

InChI=1S/C36H51NO9/c1-22(17-28-21-44-26(5)37-28)11-9-12-24(3)35(43-8)25(4)30-20-31(39)36(6)32(46-36)16-15-23(2)29(38)18-27(19-34(41)42-7)13-10-14-33(40)45-30/h9-12,14-17,21,23,25,27,29-32,35,38-39H,13,18-20H2,1-8H3

InChI Key

JYLNHIJYZROVQX-UHFFFAOYSA-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 terpene lactones. These are prenol lipids containing a lactone ring.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Terpene lactones

Direct Parent

Terpene lactones

Alternative Parents

Substituents

Terpene lactone
Macrolide
Aromatic monoterpenoid
Bicyclic monoterpenoid
Monoterpenoid
2,4-disubstituted 1,3-oxazole
Dicarboxylic acid or derivatives
Azole
Heteroaromatic compound
Alpha,beta-unsaturated carboxylic ester
Enoate ester
Methyl ester
Oxazole
Carboxylic acid ester
Lactone
Secondary alcohol
Carboxylic acid derivative
Dialkyl ether
Oxacycle
Oxirane
Ether
Azacycle
Organoheterocyclic compound
Alcohol
Hydrocarbon derivative
Organic nitrogen compound
Organic oxygen compound
Organopnictogen compound
Organic oxide
Carbonyl group
Organooxygen compound
Organonitrogen compound
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic 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	5.06	ALOGPS
logP	4.22	ChemAxon
logS	-4.7	ALOGPS
pKa (Strongest Acidic)	13.82	ChemAxon
pKa (Strongest Basic)	0.59	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	7	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	140.85 Å²	ChemAxon
Rotatable Bond Count	10	ChemAxon
Refractivity	178.68 m³·mol⁻¹	ChemAxon
Polarizability	69.98 Å³	ChemAxon
Number of Rings	3	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

Not Available

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for methyl 2-{2,12-dihydroxy-4-[3-methoxy-4,8-dimethyl-9-(2-methyl-1,3-oxazol-4-yl)nona-4,6,8-trien-2-yl]-1,13-dimethyl-6-oxo-5,17-dioxabicyclo[14.1.0]heptadeca-7,14-dien-10-yl}acetate (NP0162236)

MOL for NP0162236 (methyl 2-{2,12-dihydroxy-4-[3-methoxy-4,8-dimethyl-9-(2-methyl-1,3-oxazol-4-yl)nona-4,6,8-trien-2-yl]-1,13-dimethyl-6-oxo-5,17-dioxabicyclo[14.1.0]heptadeca-7,14-dien-10-yl}acetate)

3D MOL for NP0162236 (methyl 2-{2,12-dihydroxy-4-[3-methoxy-4,8-dimethyl-9-(2-methyl-1,3-oxazol-4-yl)nona-4,6,8-trien-2-yl]-1,13-dimethyl-6-oxo-5,17-dioxabicyclo[14.1.0]heptadeca-7,14-dien-10-yl}acetate)

3D SDF for NP0162236 (methyl 2-{2,12-dihydroxy-4-[3-methoxy-4,8-dimethyl-9-(2-methyl-1,3-oxazol-4-yl)nona-4,6,8-trien-2-yl]-1,13-dimethyl-6-oxo-5,17-dioxabicyclo[14.1.0]heptadeca-7,14-dien-10-yl}acetate)

3D-SDF for NP0162236 (methyl 2-{2,12-dihydroxy-4-[3-methoxy-4,8-dimethyl-9-(2-methyl-1,3-oxazol-4-yl)nona-4,6,8-trien-2-yl]-1,13-dimethyl-6-oxo-5,17-dioxabicyclo[14.1.0]heptadeca-7,14-dien-10-yl}acetate)

PDB for NP0162236 (methyl 2-{2,12-dihydroxy-4-[3-methoxy-4,8-dimethyl-9-(2-methyl-1,3-oxazol-4-yl)nona-4,6,8-trien-2-yl]-1,13-dimethyl-6-oxo-5,17-dioxabicyclo[14.1.0]heptadeca-7,14-dien-10-yl}acetate)

3D PDB for NP0162236 (methyl 2-{2,12-dihydroxy-4-[3-methoxy-4,8-dimethyl-9-(2-methyl-1,3-oxazol-4-yl)nona-4,6,8-trien-2-yl]-1,13-dimethyl-6-oxo-5,17-dioxabicyclo[14.1.0]heptadeca-7,14-dien-10-yl}acetate)

SMILES for NP0162236 (methyl 2-{2,12-dihydroxy-4-[3-methoxy-4,8-dimethyl-9-(2-methyl-1,3-oxazol-4-yl)nona-4,6,8-trien-2-yl]-1,13-dimethyl-6-oxo-5,17-dioxabicyclo[14.1.0]heptadeca-7,14-dien-10-yl}acetate)

INCHI for NP0162236 (methyl 2-{2,12-dihydroxy-4-[3-methoxy-4,8-dimethyl-9-(2-methyl-1,3-oxazol-4-yl)nona-4,6,8-trien-2-yl]-1,13-dimethyl-6-oxo-5,17-dioxabicyclo[14.1.0]heptadeca-7,14-dien-10-yl}acetate)

Structure for NP0162236 (methyl 2-{2,12-dihydroxy-4-[3-methoxy-4,8-dimethyl-9-(2-methyl-1,3-oxazol-4-yl)nona-4,6,8-trien-2-yl]-1,13-dimethyl-6-oxo-5,17-dioxabicyclo[14.1.0]heptadeca-7,14-dien-10-yl}acetate)

3D Structure for NP0162236 (methyl 2-{2,12-dihydroxy-4-[3-methoxy-4,8-dimethyl-9-(2-methyl-1,3-oxazol-4-yl)nona-4,6,8-trien-2-yl]-1,13-dimethyl-6-oxo-5,17-dioxabicyclo[14.1.0]heptadeca-7,14-dien-10-yl}acetate)