NP-MRD: Showing NP-Card for methyl (2r,5s,8r,11s,14r,22s,31r)-2,5,8,11,14,19,25,31-octamethyl-28-(prop-1-en-2-yl)-21,32-dioxaoctacyclo[16.16.0.0²,¹⁵.0⁵,¹⁴.0⁶,¹¹.0²⁰,³³.0²²,³¹.0²⁴,³⁰]tetratriaconta-1(18),16,19,24(30),33-pentaene-8-carboxylate (NP0281144)

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Record Information

Version

2.0

Created at

2022-09-09 07:18:34 UTC

Updated at

2022-09-09 07:18:34 UTC

NP-MRD ID

NP0281144

Secondary Accession Numbers

None

Natural Product Identification

Common Name

methyl (2r,5s,8r,11s,14r,22s,31r)-2,5,8,11,14,19,25,31-octamethyl-28-(prop-1-en-2-yl)-21,32-dioxaoctacyclo[16.16.0.0²,¹⁵.0⁵,¹⁴.0⁶,¹¹.0²⁰,³³.0²²,³¹.0²⁴,³⁰]tetratriaconta-1(18),16,19,24(30),33-pentaene-8-carboxylate

Description

Cheilocline G belongs to the class of organic compounds known as sesquiterpenoids. These are terpenes with three consecutive isoprene units. Based on a literature review very few articles have been published on Cheilocline G.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309092209182D          

 49 56  0  0  1  0            999 V2000
   17.2683   -0.3826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6253   -0.8994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8562   -0.6010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7514   -1.7147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5406   -1.9549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8450   -2.7217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4352   -3.4377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9026   -4.1176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6199   -3.5638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0130   -3.0050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0715   -2.1821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2940   -3.4095    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   15.2169   -2.5881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5123   -3.1459    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8931   -3.6910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1113   -3.4274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4921   -3.9726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6547   -4.7814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4364   -5.0450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5989   -5.8539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0556   -4.4999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8373   -4.7635    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4565   -4.2184    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   16.2760   -4.3137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0355   -5.3266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2537   -5.0629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0912   -4.2541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7104   -3.7089    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.3296   -3.1637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5478   -2.9001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7661   -2.6364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1469   -3.1816    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.9844   -2.3728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3652   -2.9179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2026   -2.1091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4209   -1.8454    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.8163   -1.1214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7765   -1.3303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0082   -1.6308    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9004   -0.5147    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2560    0.0004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8017   -2.3906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9642   -3.1995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7460   -3.4631    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.1268   -4.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9085   -4.2719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6902   -4.5356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3094   -3.9904    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.4720   -4.7993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
  4 11  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  1  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
 15 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 12 23  1  0  0  0  0
 23 24  1  6  0  0  0
  9 24  1  0  0  0  0
 18 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 17 28  1  0  0  0  0
 28 29  1  6  0  0  0
 28 30  1  0  0  0  0
 30 31  1  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  1  6  0  0  0
 36 38  1  1  0  0  0
 38 39  2  0  0  0  0
 38 40  1  0  0  0  0
 40 41  1  0  0  0  0
 36 42  1  0  0  0  0
 42 43  1  0  0  0  0
 43 44  1  0  0  0  0
 34 44  1  0  0  0  0
 44 45  1  6  0  0  0
 44 46  1  0  0  0  0
 46 47  1  0  0  0  0
 47 48  1  0  0  0  0
 27 48  1  0  0  0  0
 32 48  1  0  0  0  0
 48 49  1  6  0  0  0
M  END

     RDKit          3D

111118  0  0  0  0  0  0  0  0999 V2000
   -4.9552   -3.1928   -0.9683 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1632   -3.0219   -0.5145 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1824   -4.0806   -0.7396 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5758   -1.8166    0.2212 C   0  0  2  0  0  0  0  0  0  0  0  0
   -7.7025   -1.1661   -0.5531 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5702   -0.4726    0.4627 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1223    0.9398    0.5957 C   0  0  2  0  0  0  0  0  0  0  0  0
   -8.3806    1.7887   -0.6367 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7447    1.1245    1.1094 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6879    0.3124    1.1454 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3990   -0.8940    0.3714 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7596    0.8569    2.1702 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.3658    0.5762    3.5203 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4555    0.4007    2.0970 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6175    0.9416    1.0987 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3414    0.4320    0.9169 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5165    0.9441   -0.0464 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9566    1.9776   -0.8329 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2238    2.4856   -0.6603 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7016    3.5984   -1.5175 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0445    1.9704    0.2975 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3499    2.4739    0.4950 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8745    2.3454    1.7995 C   0  0  1  0  0  0  0  0  0  0  0  0
   -6.3766    2.4573    1.7246 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0161    2.7182   -1.7031 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2517    2.3855   -1.6769 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7488    1.3298   -0.7979 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.7618    0.3125   -0.4729 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.3001   -0.4831   -1.7301 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2413   -0.7563    0.4770 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5762   -1.2810    0.0131 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5872   -0.1615   -0.0945 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6645    0.4529    1.2868 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9763   -0.7036   -0.3605 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.5227   -1.2216    0.9573 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8266   -1.9815    0.8142 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.5636   -3.4363    0.5175 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6435   -1.8705    2.0469 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9859   -2.9192    2.6528 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0689   -0.6822    2.5962 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8488   -0.5997    3.7734 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6256   -1.3193   -0.2933 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2468    0.1460   -0.2708 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9105    0.2434   -1.0347 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.2799   -0.1895   -2.4440 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5170    1.6718   -1.0101 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0775    2.0132   -0.9688 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1382    0.8277   -1.1081 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.1328    0.3931   -2.5268 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1768   -2.4664   -0.8364 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6970   -4.0954   -1.5038 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7176   -5.0768   -0.8846 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9666   -4.0835    0.0455 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6646   -3.8310   -1.7237 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9906   -2.1325    1.2081 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2628   -0.4394   -1.2717 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2603   -1.9140   -1.1541 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6434   -0.4809    0.1771 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4627   -0.9535    1.4647 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7935    1.4047    1.3899 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4634    1.8247   -1.2289 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6033    2.8526   -0.3245 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2745    1.4552   -1.1820 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.0397   -0.6767   -0.6596 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0281    1.2671    4.3147 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.0460   -0.4490    3.8033 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0054   -0.3792    1.5486 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7101    3.3283   -2.6014 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7301    3.8795   -1.2431 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0599    4.5080   -1.3541 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4171    2.9980    2.5320 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7342    3.2884    1.1045 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7571    2.4687    2.7600 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4386    3.4976   -2.3144 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9107    2.9470   -2.3570 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9393    1.9384    0.1864 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0080   -1.2323   -2.0429 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1408    0.1683   -2.4818 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5826   -1.0728   -1.3243 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5246   -1.6098    0.3942 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2294   -0.4414    1.5321 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4619   -1.8684   -0.8933 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8897   -2.0103    0.8183 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7690    0.9591    1.6346 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5102    1.1660    1.3404 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8569   -1.6009   -1.0101 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7473   -0.4134    1.6860 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8070   -1.9747    1.3480 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7489   -3.7569    1.2304 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2056   -3.6364   -0.4922 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4404   -4.0486    0.8212 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6727   -1.3416    3.6914 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2567   -0.7340    4.7003 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3299    0.4000    3.8278 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3114   -1.8372   -1.2172 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7135   -1.4654   -0.1155 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9902    0.7124   -0.9008 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2083    0.5859    0.7169 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1027    0.6899   -3.1376 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3608   -0.3929   -2.5866 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6893   -1.0598   -2.7773 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0331    2.2266   -0.1706 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9638    2.1491   -1.9355 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8052    2.7302   -1.7691 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8057    2.5099   -0.0144 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3325   -0.6781   -2.7080 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7908    1.0707   -3.1581 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1352    0.5710   -3.0444 H   0  0  0  0  0  0  0  0  0  0  0  0
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  3 52  1  0
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 33 86  1  0
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 33 88  1  0
 34 89  1  6
 35 90  1  0
 35 91  1  0
M  END


  Mrv1652309092209182D          

 49 56  0  0  1  0            999 V2000
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   16.6253   -0.8994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8562   -0.6010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7514   -1.7147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5406   -1.9549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8450   -2.7217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4352   -3.4377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9026   -4.1176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6199   -3.5638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0130   -3.0050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0715   -2.1821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2940   -3.4095    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   15.2169   -2.5881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5123   -3.1459    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8931   -3.6910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1113   -3.4274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4921   -3.9726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6547   -4.7814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4364   -5.0450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5989   -5.8539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0556   -4.4999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8373   -4.7635    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4565   -4.2184    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   16.2760   -4.3137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0355   -5.3266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2537   -5.0629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0912   -4.2541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7104   -3.7089    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.3296   -3.1637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5478   -2.9001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7661   -2.6364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1469   -3.1816    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.9844   -2.3728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3652   -2.9179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2026   -2.1091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4209   -1.8454    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.8163   -1.1214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7765   -1.3303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0082   -1.6308    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9004   -0.5147    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2560    0.0004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8017   -2.3906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9642   -3.1995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7460   -3.4631    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.1268   -4.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9085   -4.2719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6902   -4.5356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3094   -3.9904    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.4720   -4.7993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
  4 11  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  1  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
 15 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 12 23  1  0  0  0  0
 23 24  1  6  0  0  0
  9 24  1  0  0  0  0
 18 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 17 28  1  0  0  0  0
 28 29  1  6  0  0  0
 28 30  1  0  0  0  0
 30 31  1  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  1  6  0  0  0
 36 38  1  1  0  0  0
 38 39  2  0  0  0  0
 38 40  1  0  0  0  0
 40 41  1  0  0  0  0
 36 42  1  0  0  0  0
 42 43  1  0  0  0  0
 43 44  1  0  0  0  0
 34 44  1  0  0  0  0
 44 45  1  6  0  0  0
 44 46  1  0  0  0  0
 46 47  1  0  0  0  0
 47 48  1  0  0  0  0
 27 48  1  0  0  0  0
 32 48  1  0  0  0  0
 48 49  1  6  0  0  0
M  END
> <DATABASE_ID>
NP0281144

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C4C=CC5=C(C=C6O[C@@]7(C)[C@H](CC8=C7CC(CCC8C)C(C)=C)OC6=C5C)[C@]4(C)CC[C@@]3(C)C2C1

> <INCHI_IDENTIFIER>
InChI=1S/C45H62O4/c1-26(2)29-13-12-27(3)31-23-37-45(10,33(31)22-29)49-34-24-32-30(28(4)38(34)48-37)14-15-35-42(32,7)19-21-44(9)36-25-41(6,39(46)47-11)17-16-40(36,5)18-20-43(35,44)8/h14-15,24,27,29,35-37H,1,12-13,16-23,25H2,2-11H3/t27?,29?,35?,36?,37-,40+,41+,42-,43+,44-,45+/m0/s1

> <INCHI_KEY>
RVCDVYKZKPGMKW-AFYBDMPDSA-N

> <FORMULA>
C45H62O4

> <MOLECULAR_WEIGHT>
666.987

> <EXACT_MASS>
666.464810476

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
111

> <JCHEM_AVERAGE_POLARIZABILITY>
80.95011105829228

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
methyl (2R,5S,8R,11S,14R,22S,31R)-2,5,8,11,14,19,25,31-octamethyl-28-(prop-1-en-2-yl)-21,32-dioxaoctacyclo[16.16.0.0^{2,15}.0^{5,14}.0^{6,11}.0^{20,33}.0^{22,31}.0^{24,30}]tetratriaconta-1(18),16,19,24(30),33-pentaene-8-carboxylate

> <JCHEM_LOGP>
10.655168013333334

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
8

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-4.650422665635727

> <JCHEM_POLAR_SURFACE_AREA>
44.760000000000005

> <JCHEM_REFRACTIVITY>
199.22910000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
methyl (2R,5S,8R,11S,14R,22S,31R)-2,5,8,11,14,19,25,31-octamethyl-28-(prop-1-en-2-yl)-21,32-dioxaoctacyclo[16.16.0.0^{2,15}.0^{5,14}.0^{6,11}.0^{20,33}.0^{22,31}.0^{24,30}]tetratriaconta-1(18),16,19,24(30),33-pentaene-8-carboxylate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 09-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   09-SEP-22         0                                  
HETATM    1  C   UNK     0      32.234  -0.714   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      31.034  -1.679   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      29.598  -1.122   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      31.269  -3.201   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      32.743  -3.649   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      33.311  -5.080   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      32.546  -6.417   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      33.418  -7.686   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      31.024  -6.652   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      29.891  -5.609   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      30.000  -4.073   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      28.549  -6.364   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      28.405  -4.831   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0      27.090  -5.872   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0      25.934  -6.890   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      24.474  -6.398   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      23.319  -7.415   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      23.622  -8.925   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      25.081  -9.417   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      25.385 -10.927   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      26.237  -8.400   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0      27.696  -8.892   0.000  0.00  0.00           O+0
HETATM   23  C   UNK     0      28.852  -7.874   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      30.382  -8.052   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      22.466  -9.943   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      21.007  -9.451   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      20.704  -7.941   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      21.859  -6.923   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      23.015  -5.906   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      21.556  -5.413   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      20.097  -4.921   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      18.941  -5.939   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      18.638  -4.429   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      17.482  -5.447   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0      17.178  -3.937   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0      15.719  -3.445   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0      16.457  -2.093   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0      14.516  -2.483   0.000  0.00  0.00           C+0
HETATM   39  O   UNK     0      13.082  -3.044   0.000  0.00  0.00           O+0
HETATM   40  O   UNK     0      14.747  -0.961   0.000  0.00  0.00           O+0
HETATM   41  C   UNK     0      13.544   0.001   0.000  0.00  0.00           C+0
HETATM   42  C   UNK     0      14.563  -4.462   0.000  0.00  0.00           C+0
HETATM   43  C   UNK     0      14.867  -5.972   0.000  0.00  0.00           C+0
HETATM   44  C   UNK     0      16.326  -6.464   0.000  0.00  0.00           C+0
HETATM   45  C   UNK     0      15.170  -7.482   0.000  0.00  0.00           C+0
HETATM   46  C   UNK     0      16.629  -7.974   0.000  0.00  0.00           C+0
HETATM   47  C   UNK     0      18.088  -8.466   0.000  0.00  0.00           C+0
HETATM   48  C   UNK     0      19.244  -7.449   0.000  0.00  0.00           C+0
HETATM   49  C   UNK     0      19.548  -8.959   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3    4                                                  
CONECT    3    2                                                            
CONECT    4    2    5   11                                                  
CONECT    5    4    6                                                       
CONECT    6    5    7                                                       
CONECT    7    6    8    9                                                  
CONECT    8    7                                                            
CONECT    9    7   10   24                                                  
CONECT   10    9   11   12                                                  
CONECT   11   10    4                                                       
CONECT   12   10   13   14   23                                             
CONECT   13   12                                                            
CONECT   14   12   15                                                       
CONECT   15   14   16   21                                                  
CONECT   16   15   17                                                       
CONECT   17   16   18   28                                                  
CONECT   18   17   19   25                                                  
CONECT   19   18   20   21                                                  
CONECT   20   19                                                            
CONECT   21   19   15   22                                                  
CONECT   22   21   23                                                       
CONECT   23   22   12   24                                                  
CONECT   24   23    9                                                       
CONECT   25   18   26                                                       
CONECT   26   25   27                                                       
CONECT   27   26   28   48                                                  
CONECT   28   27   17   29   30                                             
CONECT   29   28                                                            
CONECT   30   28   31                                                       
CONECT   31   30   32                                                       
CONECT   32   31   33   34   48                                             
CONECT   33   32                                                            
CONECT   34   32   35   44                                                  
CONECT   35   34   36                                                       
CONECT   36   35   37   38   42                                             
CONECT   37   36                                                            
CONECT   38   36   39   40                                                  
CONECT   39   38                                                            
CONECT   40   38   41                                                       
CONECT   41   40                                                            
CONECT   42   36   43                                                       
CONECT   43   42   44                                                       
CONECT   44   43   34   45   46                                             
CONECT   45   44                                                            
CONECT   46   44   47                                                       
CONECT   47   46   48                                                       
CONECT   48   47   27   32   49                                             
CONECT   49   48                                                            
MASTER        0    0    0    0    0    0    0    0   49    0  112    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₄₅H₆₂O₄

Average Mass

666.9870 Da

Monoisotopic Mass

666.46481 Da

IUPAC Name

methyl (2R,5S,8R,11S,14R,22S,31R)-2,5,8,11,14,19,25,31-octamethyl-28-(prop-1-en-2-yl)-21,32-dioxaoctacyclo[16.16.0.0^{2,15}.0^{5,14}.0^{6,11}.0^{20,33}.0^{22,31}.0^{24,30}]tetratriaconta-1(18),16,19,24(30),33-pentaene-8-carboxylate

Traditional Name

CAS Registry Number

Not Available

SMILES

COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C4C=CC5=C(C=C6O[C@@]7(C)[C@H](CC8=C7CC(CCC8C)C(C)=C)OC6=C5C)[C@]4(C)CC[C@@]3(C)C2C1

InChI Identifier

InChI=1S/C45H62O4/c1-26(2)29-13-12-27(3)31-23-37-45(10,33(31)22-29)49-34-24-32-30(28(4)38(34)48-37)14-15-35-42(32,7)19-21-44(9)36-25-41(6,39(46)47-11)17-16-40(36,5)18-20-43(35,44)8/h14-15,24,27,29,35-37H,1,12-13,16-23,25H2,2-11H3/t27?,29?,35?,36?,37-,40+,41+,42-,43+,44-,45+/m0/s1

InChI Key

RVCDVYKZKPGMKW-AFYBDMPDSA-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 sesquiterpenoids. These are terpenes with three consecutive isoprene units.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Sesquiterpenoids

Direct Parent

Sesquiterpenoids

Alternative Parents

Substituents

Sesquiterpenoid
Phenanthrene
Naphthalene
Alkyl aryl ether
Para-dioxin
Benzenoid
Methyl ester
Carboxylic acid ester
Oxacycle
Monocarboxylic acid or derivatives
Ether
Carboxylic acid derivative
Organoheterocyclic compound
Hydrocarbon derivative
Organic oxygen compound
Organooxygen compound
Organic oxide
Carbonyl group
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	10.66	ChemAxon
pKa (Strongest Basic)	-4.7	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	3	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	44.76 Å²	ChemAxon
Rotatable Bond Count	3	ChemAxon
Refractivity	199.23 m³·mol⁻¹	ChemAxon
Polarizability	80.95 Å³	ChemAxon
Number of Rings	8	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

9586160

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

11411268

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for methyl (2r,5s,8r,11s,14r,22s,31r)-2,5,8,11,14,19,25,31-octamethyl-28-(prop-1-en-2-yl)-21,32-dioxaoctacyclo[16.16.0.0²,¹⁵.0⁵,¹⁴.0⁶,¹¹.0²⁰,³³.0²²,³¹.0²⁴,³⁰]tetratriaconta-1(18),16,19,24(30),33-pentaene-8-carboxylate (NP0281144)

MOL for NP0281144 (methyl (2r,5s,8r,11s,14r,22s,31r)-2,5,8,11,14,19,25,31-octamethyl-28-(prop-1-en-2-yl)-21,32-dioxaoctacyclo[16.16.0.0²,¹⁵.0⁵,¹⁴.0⁶,¹¹.0²⁰,³³.0²²,³¹.0²⁴,³⁰]tetratriaconta-1(18),16,19,24(30),33-pentaene-8-carboxylate)

3D MOL for NP0281144 (methyl (2r,5s,8r,11s,14r,22s,31r)-2,5,8,11,14,19,25,31-octamethyl-28-(prop-1-en-2-yl)-21,32-dioxaoctacyclo[16.16.0.0²,¹⁵.0⁵,¹⁴.0⁶,¹¹.0²⁰,³³.0²²,³¹.0²⁴,³⁰]tetratriaconta-1(18),16,19,24(30),33-pentaene-8-carboxylate)

3D SDF for NP0281144 (methyl (2r,5s,8r,11s,14r,22s,31r)-2,5,8,11,14,19,25,31-octamethyl-28-(prop-1-en-2-yl)-21,32-dioxaoctacyclo[16.16.0.0²,¹⁵.0⁵,¹⁴.0⁶,¹¹.0²⁰,³³.0²²,³¹.0²⁴,³⁰]tetratriaconta-1(18),16,19,24(30),33-pentaene-8-carboxylate)

3D-SDF for NP0281144 (methyl (2r,5s,8r,11s,14r,22s,31r)-2,5,8,11,14,19,25,31-octamethyl-28-(prop-1-en-2-yl)-21,32-dioxaoctacyclo[16.16.0.0²,¹⁵.0⁵,¹⁴.0⁶,¹¹.0²⁰,³³.0²²,³¹.0²⁴,³⁰]tetratriaconta-1(18),16,19,24(30),33-pentaene-8-carboxylate)

PDB for NP0281144 (methyl (2r,5s,8r,11s,14r,22s,31r)-2,5,8,11,14,19,25,31-octamethyl-28-(prop-1-en-2-yl)-21,32-dioxaoctacyclo[16.16.0.0²,¹⁵.0⁵,¹⁴.0⁶,¹¹.0²⁰,³³.0²²,³¹.0²⁴,³⁰]tetratriaconta-1(18),16,19,24(30),33-pentaene-8-carboxylate)

3D PDB for NP0281144 (methyl (2r,5s,8r,11s,14r,22s,31r)-2,5,8,11,14,19,25,31-octamethyl-28-(prop-1-en-2-yl)-21,32-dioxaoctacyclo[16.16.0.0²,¹⁵.0⁵,¹⁴.0⁶,¹¹.0²⁰,³³.0²²,³¹.0²⁴,³⁰]tetratriaconta-1(18),16,19,24(30),33-pentaene-8-carboxylate)

SMILES for NP0281144 (methyl (2r,5s,8r,11s,14r,22s,31r)-2,5,8,11,14,19,25,31-octamethyl-28-(prop-1-en-2-yl)-21,32-dioxaoctacyclo[16.16.0.0²,¹⁵.0⁵,¹⁴.0⁶,¹¹.0²⁰,³³.0²²,³¹.0²⁴,³⁰]tetratriaconta-1(18),16,19,24(30),33-pentaene-8-carboxylate)

INCHI for NP0281144 (methyl (2r,5s,8r,11s,14r,22s,31r)-2,5,8,11,14,19,25,31-octamethyl-28-(prop-1-en-2-yl)-21,32-dioxaoctacyclo[16.16.0.0²,¹⁵.0⁵,¹⁴.0⁶,¹¹.0²⁰,³³.0²²,³¹.0²⁴,³⁰]tetratriaconta-1(18),16,19,24(30),33-pentaene-8-carboxylate)

Structure for NP0281144 (methyl (2r,5s,8r,11s,14r,22s,31r)-2,5,8,11,14,19,25,31-octamethyl-28-(prop-1-en-2-yl)-21,32-dioxaoctacyclo[16.16.0.0²,¹⁵.0⁵,¹⁴.0⁶,¹¹.0²⁰,³³.0²²,³¹.0²⁴,³⁰]tetratriaconta-1(18),16,19,24(30),33-pentaene-8-carboxylate)

3D Structure for NP0281144 (methyl (2r,5s,8r,11s,14r,22s,31r)-2,5,8,11,14,19,25,31-octamethyl-28-(prop-1-en-2-yl)-21,32-dioxaoctacyclo[16.16.0.0²,¹⁵.0⁵,¹⁴.0⁶,¹¹.0²⁰,³³.0²²,³¹.0²⁴,³⁰]tetratriaconta-1(18),16,19,24(30),33-pentaene-8-carboxylate)