NP-MRD: Showing NP-Card for [(1s,2s,3s,4r,7s,8e,10z,12s,13r,14s,16r,17s)-2,12,14,16-tetrakis(acetyloxy)-3,17-dihydroxy-4,13,17-trimethyl-5-oxo-6-oxatricyclo[11.4.0.0³,⁷]heptadeca-8,10-dien-9-yl]methyl octanoate (NP0268710)

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Record Information

Version

2.0

Created at

2022-09-08 13:55:14 UTC

Updated at

2022-09-08 13:55:14 UTC

NP-MRD ID

NP0268710

Secondary Accession Numbers

None

Natural Product Identification

Common Name

[(1s,2s,3s,4r,7s,8e,10z,12s,13r,14s,16r,17s)-2,12,14,16-tetrakis(acetyloxy)-3,17-dihydroxy-4,13,17-trimethyl-5-oxo-6-oxatricyclo[11.4.0.0³,⁷]heptadeca-8,10-dien-9-yl]methyl octanoate

Description

Briarein I belongs to the class of organic compounds known as diterpene lactones. These are diterpenoids containing a lactone moiety. [(1s,2s,3s,4r,7s,8e,10z,12s,13r,14s,16r,17s)-2,12,14,16-tetrakis(acetyloxy)-3,17-dihydroxy-4,13,17-trimethyl-5-oxo-6-oxatricyclo[11.4.0.0³,⁷]heptadeca-8,10-dien-9-yl]methyl octanoate is found in Briareum asbestinum. Based on a literature review very few articles have been published on Briarein I.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309082215552D          

 50 52  0  0  1  0            999 V2000
   -1.3119   -7.4318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5975   -7.0193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1170   -7.4318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8315   -7.0193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5460   -7.4318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2604   -7.0193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9749   -7.4318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6894   -7.0193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6894   -6.1943    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4038   -7.4318    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1183   -7.0193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8328   -7.4318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4459   -6.8798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2664   -6.7936    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.4379   -5.9866    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2584   -5.9004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6709   -5.1859    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5939   -6.6540    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.4009   -6.8256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9808   -7.2061    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.7878   -7.3776    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3164   -7.9597    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.1369   -7.8735    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6218   -8.5409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4423   -8.4547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2862   -9.2946    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1449   -8.7667    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.9295   -9.0217    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.7540   -8.9929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0443   -8.2047    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1010   -9.8286    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.8856  -10.0836    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0572  -10.8905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8418  -11.1455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4441  -11.4426    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4879  -10.3807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7033  -10.1257    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.0902  -10.6777    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2617  -11.4847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0463  -11.7397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6486  -12.0368    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5318   -9.3187    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.0468   -9.9862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7113   -9.4050    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.5398  -10.2120    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7551  -10.4669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5836  -11.2739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1420   -9.9149    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9968   -8.9925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6613   -8.2388    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
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  6  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  6  0  0  0
 18 20  1  0  0  0  0
 14 20  1  0  0  0  0
 20 21  1  6  0  0  0
 20 22  1  0  0  0  0
 22 23  1  1  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  2  0  0  0  0
 22 27  1  0  0  0  0
 27 28  1  1  0  0  0
 28 29  1  1  0  0  0
 28 30  1  6  0  0  0
 28 31  1  0  0  0  0
 31 32  1  6  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 33 35  2  0  0  0  0
 31 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  6  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
 39 41  2  0  0  0  0
 37 42  1  0  0  0  0
 27 42  1  0  0  0  0
 42 43  1  1  0  0  0
 42 44  1  0  0  0  0
 44 45  1  1  0  0  0
 45 46  1  0  0  0  0
 46 47  1  0  0  0  0
 46 48  2  0  0  0  0
 44 49  1  0  0  0  0
 49 50  2  0  0  0  0
 12 50  1  0  0  0  0
M  END

     RDKit          3D

102104  0  0  0  0  0  0  0  0999 V2000
    9.0936    3.0594   -0.1715 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8936    1.7748   -0.1101 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9675    0.6010   -0.3978 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8966    0.6070    0.6450 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9381   -0.5387    0.4465 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2548   -0.4710   -0.8853 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2912   -1.5934   -1.0873 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1859   -1.5441   -0.1151 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0854   -0.5507    0.6472 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2481   -2.5942   -0.0343 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2020   -2.5621    0.8607 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1182   -1.5510    0.6447 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2360   -0.7792   -0.4080 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4505    0.3008   -0.9711 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.3983    1.1094   -1.7163 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5089    2.2860   -1.0154 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5176    2.9611   -0.7609 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1161    2.5780   -0.6201 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0300    3.6453    0.4368 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3401    1.2080   -0.1369 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.0489    1.2096    1.2074 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8402    1.1683   -0.4358 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.0735    1.0127   -1.7963 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6500    1.9245   -2.6337 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8451    1.6447   -4.0779 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0330    3.0345   -2.1949 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6196    0.2607    0.4580 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.8250    0.9381    1.0832 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.6846    2.4123    1.2749 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0471    0.4282    2.3873 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0848    0.6942    0.2965 C   0  0  2  0  0  0  0  0  0  0  0  0
   -6.1224    1.3981    0.9993 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8675    2.4013    0.4038 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9324    3.1142    1.1459 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6223    2.6975   -0.7844 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4026   -0.7503    0.3234 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2327   -1.6601    0.5282 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.1084   -2.1238    1.8496 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3374   -3.4373    2.2029 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2001   -3.9295    3.6096 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6760   -4.2915    1.3495 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9370   -1.1027   -0.0493 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.1238   -1.2285   -1.5467 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8469   -2.1287    0.2973 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.0376   -2.4870   -0.7578 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9590   -3.7704   -1.2630 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0940   -4.1640   -2.3942 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6701   -4.6708   -0.7276 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2055   -1.7524    1.5535 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0884   -1.5154    1.6435 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3600    3.0357   -0.9817 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5165    3.1645    0.7803 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8055    3.9059   -0.2567 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6815    1.7639   -0.8857 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3396    1.6940    0.8953 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5279   -0.3410   -0.4138 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5521    0.7754   -1.4288 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3007    1.5324    0.6462 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3742    0.4733    1.6485 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2014   -0.5742    1.2512 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5404   -1.4857    0.5303 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9906   -0.4110   -1.7280 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6560    0.4763   -0.8796 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8850   -1.5034   -2.1307 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8457   -2.5547   -0.9698 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6575   -2.3948    1.8887 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8230   -3.6224    0.8994 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1020   -1.0331   -1.0430 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1880   -0.1049   -1.7824 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3948    2.8832   -1.5641 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9845    3.9257    0.7033 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4786    4.5632   -0.0495 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6867    3.4223    1.2800 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5477    1.8700    1.7030 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2028    2.2010   -0.1723 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9259    1.3746   -4.2039 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2404    0.7713   -4.4126 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6824    2.5360   -4.7044 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9406    0.1186    1.3590 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7549    2.7400    1.7765 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4890    2.7151    2.0193 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9629    3.0253    0.3842 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9413    0.7402    2.6457 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0552    1.1176   -0.7050 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8846    2.5257    1.0317 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6979    3.2456    2.2144 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0731    4.1120    0.6746 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1267   -0.9697    1.1627 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.4970   -2.5836   -0.0730 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5583   -4.8385    3.6010 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8149   -3.1616    4.2927 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2263   -4.2800    3.9092 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9177   -0.5759   -1.9495 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2104   -1.2803   -2.1323 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5697   -2.2684   -1.6804 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3635   -3.1104    0.5806 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2266   -3.3199   -3.0245 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7855   -4.6976   -1.9715 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6546   -4.9379   -2.9804 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8938   -1.6771    2.4179 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3737   -1.2628    2.6961 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 16 18  1  0
 18 19  1  0
 18 20  1  0
 20 21  1  1
 20 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 24 26  2  0
 22 27  1  0
 27 28  1  0
 28 29  1  0
 28 30  1  1
 28 31  1  0
 31 36  1  0
 36 37  1  0
 37 38  1  0
 38 39  1  0
 39 40  1  0
 39 41  2  0
 37 42  1  0
 42 43  1  6
 42 44  1  0
 44 45  1  0
 45 46  1  0
 46 47  1  0
 46 48  2  0
 44 49  1  0
 49 50  2  0
 31 32  1  0
 32 33  1  0
 33 34  1  0
 33 35  2  0
 50 12  1  0
 20 14  1  0
 42 27  1  0
  1 51  1  0
  1 52  1  0
  1 53  1  0
  2 54  1  0
  2 55  1  0
  3 56  1  0
  3 57  1  0
  4 58  1  0
  4 59  1  0
  5 60  1  0
  5 61  1  0
  6 62  1  0
  6 63  1  0
  7 64  1  0
  7 65  1  0
 11 66  1  0
 11 67  1  0
 13 68  1  0
 14 69  1  6
 18 70  1  6
 19 71  1  0
 19 72  1  0
 19 73  1  0
 21 74  1  0
 22 75  1  1
 25 76  1  0
 25 77  1  0
 25 78  1  0
 27 79  1  1
 29 80  1  0
 29 81  1  0
 29 82  1  0
 30 83  1  0
 31 84  1  6
 36 88  1  0
 36 89  1  0
 37 90  1  6
 40 91  1  0
 40 92  1  0
 40 93  1  0
 43 94  1  0
 43 95  1  0
 43 96  1  0
 44 97  1  1
 47 98  1  0
 47 99  1  0
 47100  1  0
 49101  1  0
 50102  1  0
 34 85  1  0
 34 86  1  0
 34 87  1  0
M  END


  Mrv1652309082215552D          

 50 52  0  0  1  0            999 V2000
   -1.3119   -7.4318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5975   -7.0193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1170   -7.4318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8315   -7.0193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5460   -7.4318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2604   -7.0193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9749   -7.4318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6894   -7.0193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6894   -6.1943    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4038   -7.4318    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1183   -7.0193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8328   -7.4318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4459   -6.8798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2664   -6.7936    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.4379   -5.9866    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2584   -5.9004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6709   -5.1859    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5939   -6.6540    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.4009   -6.8256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9808   -7.2061    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.7878   -7.3776    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3164   -7.9597    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.1369   -7.8735    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6218   -8.5409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4423   -8.4547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2862   -9.2946    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1449   -8.7667    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.9295   -9.0217    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.7540   -8.9929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0443   -8.2047    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1010   -9.8286    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.8856  -10.0836    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0572  -10.8905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8418  -11.1455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4441  -11.4426    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4879  -10.3807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7033  -10.1257    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.0902  -10.6777    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2617  -11.4847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0463  -11.7397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6486  -12.0368    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5318   -9.3187    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.0468   -9.9862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7113   -9.4050    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.5398  -10.2120    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7551  -10.4669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5836  -11.2739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1420   -9.9149    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9968   -8.9925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6613   -8.2388    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
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  6  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  6  0  0  0
 18 20  1  0  0  0  0
 14 20  1  0  0  0  0
 20 21  1  6  0  0  0
 20 22  1  0  0  0  0
 22 23  1  1  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  2  0  0  0  0
 22 27  1  0  0  0  0
 27 28  1  1  0  0  0
 28 29  1  1  0  0  0
 28 30  1  6  0  0  0
 28 31  1  0  0  0  0
 31 32  1  6  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 33 35  2  0  0  0  0
 31 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  6  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
 39 41  2  0  0  0  0
 37 42  1  0  0  0  0
 27 42  1  0  0  0  0
 42 43  1  1  0  0  0
 42 44  1  0  0  0  0
 44 45  1  1  0  0  0
 45 46  1  0  0  0  0
 46 47  1  0  0  0  0
 46 48  2  0  0  0  0
 44 49  1  0  0  0  0
 49 50  2  0  0  0  0
 12 50  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0268710

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CCCCCCCC(=O)OC/C1=C/[C@@H]2OC(=O)[C@H](C)[C@@]2(O)[C@@H](OC(C)=O)[C@H]2[C@](C)(O)[C@@H](C[C@H](OC(C)=O)[C@]2(C)[C@@H](OC(C)=O)/C=C\1)OC(C)=O

> <INCHI_IDENTIFIER>
InChI=1S/C36H52O14/c1-9-10-11-12-13-14-30(41)45-19-25-15-16-26(46-21(3)37)34(7)27(47-22(4)38)18-28(48-23(5)39)35(8,43)31(34)32(49-24(6)40)36(44)20(2)33(42)50-29(36)17-25/h15-17,20,26-29,31-32,43-44H,9-14,18-19H2,1-8H3/b16-15-,25-17+/t20-,26-,27-,28+,29-,31+,32-,34-,35+,36-/m0/s1

> <INCHI_KEY>
AVKWCSGMZJPGJL-FSFHKPIZSA-N

> <FORMULA>
C36H52O14

> <MOLECULAR_WEIGHT>
708.798

> <EXACT_MASS>
708.335706354

> <JCHEM_ACCEPTOR_COUNT>
8

> <JCHEM_ATOM_COUNT>
102

> <JCHEM_AVERAGE_POLARIZABILITY>
75.27874557942118

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
[(1S,2S,3S,4R,7S,8E,10Z,12S,13R,14S,16R,17S)-2,12,14,16-tetrakis(acetyloxy)-3,17-dihydroxy-4,13,17-trimethyl-5-oxo-6-oxatricyclo[11.4.0.0^{3,7}]heptadeca-8,10-dien-9-yl]methyl octanoate

> <JCHEM_LOGP>
2.1384966069999978

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
13.71720842102921

> <JCHEM_PKA_STRONGEST_ACIDIC>
12.335220158265702

> <JCHEM_PKA_STRONGEST_BASIC>
-3.3712430548902637

> <JCHEM_POLAR_SURFACE_AREA>
198.25999999999996

> <JCHEM_REFRACTIVITY>
174.98260000000005

> <JCHEM_ROTATABLE_BOND_COUNT>
17

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
[(1S,2S,3S,4R,7S,8E,10Z,12S,13R,14S,16R,17S)-2,12,14,16-tetrakis(acetyloxy)-3,17-dihydroxy-4,13,17-trimethyl-5-oxo-6-oxatricyclo[11.4.0.0^{3,7}]heptadeca-8,10-dien-9-yl]methyl octanoate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 08-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   08-SEP-22         0                                  
HETATM    1  C   UNK     0      -2.449 -13.873   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -1.115 -13.103   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       0.218 -13.873   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       1.552 -13.103   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       2.886 -13.873   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       4.219 -13.103   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       5.553 -13.873   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       6.887 -13.103   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0       6.887 -11.563   0.000  0.00  0.00           O+0
HETATM   10  O   UNK     0       8.220 -13.873   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0       9.554 -13.103   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      10.888 -13.873   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      12.032 -12.842   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      13.564 -12.681   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0      13.884 -11.175   0.000  0.00  0.00           O+0
HETATM   16  C   UNK     0      15.416 -11.014   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0      16.186  -9.680   0.000  0.00  0.00           O+0
HETATM   18  C   UNK     0      16.042 -12.421   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      17.548 -12.741   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      14.898 -13.451   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0      16.404 -13.772   0.000  0.00  0.00           O+0
HETATM   22  C   UNK     0      15.524 -14.858   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0      17.055 -14.697   0.000  0.00  0.00           O+0
HETATM   24  C   UNK     0      17.961 -15.943   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      19.492 -15.782   0.000  0.00  0.00           C+0
HETATM   26  O   UNK     0      17.334 -17.350   0.000  0.00  0.00           O+0
HETATM   27  C   UNK     0      15.204 -16.365   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      16.668 -16.840   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      18.207 -16.787   0.000  0.00  0.00           C+0
HETATM   30  O   UNK     0      16.883 -15.315   0.000  0.00  0.00           O+0
HETATM   31  C   UNK     0      16.989 -18.347   0.000  0.00  0.00           C+0
HETATM   32  O   UNK     0      18.453 -18.823   0.000  0.00  0.00           O+0
HETATM   33  C   UNK     0      18.773 -20.329   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      20.238 -20.805   0.000  0.00  0.00           C+0
HETATM   35  O   UNK     0      17.629 -21.359   0.000  0.00  0.00           O+0
HETATM   36  C   UNK     0      15.844 -19.377   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0      14.379 -18.901   0.000  0.00  0.00           C+0
HETATM   38  O   UNK     0      13.235 -19.932   0.000  0.00  0.00           O+0
HETATM   39  C   UNK     0      13.555 -21.438   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0      15.020 -21.914   0.000  0.00  0.00           C+0
HETATM   41  O   UNK     0      12.411 -22.469   0.000  0.00  0.00           O+0
HETATM   42  C   UNK     0      14.059 -17.395   0.000  0.00  0.00           C+0
HETATM   43  C   UNK     0      13.154 -18.641   0.000  0.00  0.00           C+0
HETATM   44  C   UNK     0      12.528 -17.556   0.000  0.00  0.00           C+0
HETATM   45  O   UNK     0      12.208 -19.062   0.000  0.00  0.00           O+0
HETATM   46  C   UNK     0      10.743 -19.538   0.000  0.00  0.00           C+0
HETATM   47  C   UNK     0      10.423 -21.045   0.000  0.00  0.00           C+0
HETATM   48  O   UNK     0       9.598 -18.508   0.000  0.00  0.00           O+0
HETATM   49  C   UNK     0      11.194 -16.786   0.000  0.00  0.00           C+0
HETATM   50  C   UNK     0      10.568 -15.379   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9   10                                                  
CONECT    9    8                                                            
CONECT   10    8   11                                                       
CONECT   11   10   12                                                       
CONECT   12   11   13   50                                                  
CONECT   13   12   14                                                       
CONECT   14   13   15   20                                                  
CONECT   15   14   16                                                       
CONECT   16   15   17   18                                                  
CONECT   17   16                                                            
CONECT   18   16   19   20                                                  
CONECT   19   18                                                            
CONECT   20   18   14   21   22                                             
CONECT   21   20                                                            
CONECT   22   20   23   27                                                  
CONECT   23   22   24                                                       
CONECT   24   23   25   26                                                  
CONECT   25   24                                                            
CONECT   26   24                                                            
CONECT   27   22   28   42                                                  
CONECT   28   27   29   30   31                                             
CONECT   29   28                                                            
CONECT   30   28                                                            
CONECT   31   28   32   36                                                  
CONECT   32   31   33                                                       
CONECT   33   32   34   35                                                  
CONECT   34   33                                                            
CONECT   35   33                                                            
CONECT   36   31   37                                                       
CONECT   37   36   38   42                                                  
CONECT   38   37   39                                                       
CONECT   39   38   40   41                                                  
CONECT   40   39                                                            
CONECT   41   39                                                            
CONECT   42   37   27   43   44                                             
CONECT   43   42                                                            
CONECT   44   42   45   49                                                  
CONECT   45   44   46                                                       
CONECT   46   45   47   48                                                  
CONECT   47   46                                                            
CONECT   48   46                                                            
CONECT   49   44   50                                                       
CONECT   50   49   12                                                       
MASTER        0    0    0    0    0    0    0    0   50    0  104    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₃₆H₅₂O₁₄

Average Mass

708.7980 Da

Monoisotopic Mass

708.33571 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

CCCCCCCC(=O)OC/C1=C/[C@@H]2OC(=O)[C@H](C)[C@@]2(O)[C@@H](OC(C)=O)[C@H]2[C@](C)(O)[C@@H](C[C@H](OC(C)=O)[C@]2(C)[C@@H](OC(C)=O)/C=C\1)OC(C)=O

InChI Identifier

InChI=1S/C36H52O14/c1-9-10-11-12-13-14-30(41)45-19-25-15-16-26(46-21(3)37)34(7)27(47-22(4)38)18-28(48-23(5)39)35(8,43)31(34)32(49-24(6)40)36(44)20(2)33(42)50-29(36)17-25/h15-17,20,26-29,31-32,43-44H,9-14,18-19H2,1-8H3/b16-15-,25-17+/t20-,26-,27-,28+,29-,31+,32-,34-,35+,36-/m0/s1

InChI Key

AVKWCSGMZJPGJL-FSFHKPIZSA-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
Briareum asbestinum	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as diterpene lactones. These are diterpenoids containing a lactone moiety.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Terpene lactones

Direct Parent

Diterpene lactones

Alternative Parents

Substituents

Briarane diterpenoid
Hexacarboxylic acid or derivatives
Diterpenoid
Diterpene lactone
Fatty acid ester
Fatty acyl
Gamma butyrolactone
Cyclitol or derivatives
Tetrahydrofuran
Tertiary alcohol
Cyclic alcohol
Lactone
Carboxylic acid ester
Oxacycle
Organoheterocyclic compound
Carboxylic acid derivative
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
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

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

10200288

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

21585465

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for [(1s,2s,3s,4r,7s,8e,10z,12s,13r,14s,16r,17s)-2,12,14,16-tetrakis(acetyloxy)-3,17-dihydroxy-4,13,17-trimethyl-5-oxo-6-oxatricyclo[11.4.0.0³,⁷]heptadeca-8,10-dien-9-yl]methyl octanoate (NP0268710)

MOL for NP0268710 ([(1s,2s,3s,4r,7s,8e,10z,12s,13r,14s,16r,17s)-2,12,14,16-tetrakis(acetyloxy)-3,17-dihydroxy-4,13,17-trimethyl-5-oxo-6-oxatricyclo[11.4.0.0³,⁷]heptadeca-8,10-dien-9-yl]methyl octanoate)

3D MOL for NP0268710 ([(1s,2s,3s,4r,7s,8e,10z,12s,13r,14s,16r,17s)-2,12,14,16-tetrakis(acetyloxy)-3,17-dihydroxy-4,13,17-trimethyl-5-oxo-6-oxatricyclo[11.4.0.0³,⁷]heptadeca-8,10-dien-9-yl]methyl octanoate)

3D SDF for NP0268710 ([(1s,2s,3s,4r,7s,8e,10z,12s,13r,14s,16r,17s)-2,12,14,16-tetrakis(acetyloxy)-3,17-dihydroxy-4,13,17-trimethyl-5-oxo-6-oxatricyclo[11.4.0.0³,⁷]heptadeca-8,10-dien-9-yl]methyl octanoate)

3D-SDF for NP0268710 ([(1s,2s,3s,4r,7s,8e,10z,12s,13r,14s,16r,17s)-2,12,14,16-tetrakis(acetyloxy)-3,17-dihydroxy-4,13,17-trimethyl-5-oxo-6-oxatricyclo[11.4.0.0³,⁷]heptadeca-8,10-dien-9-yl]methyl octanoate)

PDB for NP0268710 ([(1s,2s,3s,4r,7s,8e,10z,12s,13r,14s,16r,17s)-2,12,14,16-tetrakis(acetyloxy)-3,17-dihydroxy-4,13,17-trimethyl-5-oxo-6-oxatricyclo[11.4.0.0³,⁷]heptadeca-8,10-dien-9-yl]methyl octanoate)

3D PDB for NP0268710 ([(1s,2s,3s,4r,7s,8e,10z,12s,13r,14s,16r,17s)-2,12,14,16-tetrakis(acetyloxy)-3,17-dihydroxy-4,13,17-trimethyl-5-oxo-6-oxatricyclo[11.4.0.0³,⁷]heptadeca-8,10-dien-9-yl]methyl octanoate)

SMILES for NP0268710 ([(1s,2s,3s,4r,7s,8e,10z,12s,13r,14s,16r,17s)-2,12,14,16-tetrakis(acetyloxy)-3,17-dihydroxy-4,13,17-trimethyl-5-oxo-6-oxatricyclo[11.4.0.0³,⁷]heptadeca-8,10-dien-9-yl]methyl octanoate)

INCHI for NP0268710 ([(1s,2s,3s,4r,7s,8e,10z,12s,13r,14s,16r,17s)-2,12,14,16-tetrakis(acetyloxy)-3,17-dihydroxy-4,13,17-trimethyl-5-oxo-6-oxatricyclo[11.4.0.0³,⁷]heptadeca-8,10-dien-9-yl]methyl octanoate)

Structure for NP0268710 ([(1s,2s,3s,4r,7s,8e,10z,12s,13r,14s,16r,17s)-2,12,14,16-tetrakis(acetyloxy)-3,17-dihydroxy-4,13,17-trimethyl-5-oxo-6-oxatricyclo[11.4.0.0³,⁷]heptadeca-8,10-dien-9-yl]methyl octanoate)

3D Structure for NP0268710 ([(1s,2s,3s,4r,7s,8e,10z,12s,13r,14s,16r,17s)-2,12,14,16-tetrakis(acetyloxy)-3,17-dihydroxy-4,13,17-trimethyl-5-oxo-6-oxatricyclo[11.4.0.0³,⁷]heptadeca-8,10-dien-9-yl]methyl octanoate)