NP-MRD: Showing NP-Card for (1s,2s,3s,4r,5s,7s,8r,9r,10s,12z,14s,17r)-2,7,9-tris(acetyloxy)-10-(butanoyloxy)-4,8,12,17-tetramethyl-16-oxo-15,18-dioxatetracyclo[12.4.0.0¹,¹⁷.0³,⁸]octadec-12-en-5-yl pent-4-enoate (NP0157737)

Jump To Section:

Identification Spectra BioTaxonomy ChemoTaxonomy Physical properties Links References XML

Record Information

Version

2.0

Created at

2022-09-02 15:11:16 UTC

Updated at

2022-09-02 15:11:16 UTC

NP-MRD ID

NP0157737

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(1s,2s,3s,4r,5s,7s,8r,9r,10s,12z,14s,17r)-2,7,9-tris(acetyloxy)-10-(butanoyloxy)-4,8,12,17-tetramethyl-16-oxo-15,18-dioxatetracyclo[12.4.0.0¹,¹⁷.0³,⁸]octadec-12-en-5-yl pent-4-enoate

Description

(1S,2S,3S,4R,5S,7S,8R,9R,10S,12Z,14S,17R)-2,7,9-tris(acetyloxy)-10-(butanoyloxy)-4,8,12,17-tetramethyl-16-oxo-15,18-dioxatetracyclo[12.4.0.0¹,¹⁷.0³,⁸]Octadec-12-en-5-yl pent-4-enoate belongs to the class of organic compounds known as diterpene lactones. These are diterpenoids containing a lactone moiety. (1s,2s,3s,4r,5s,7s,8r,9r,10s,12z,14s,17r)-2,7,9-tris(acetyloxy)-10-(butanoyloxy)-4,8,12,17-tetramethyl-16-oxo-15,18-dioxatetracyclo[12.4.0.0¹,¹⁷.0³,⁸]octadec-12-en-5-yl pent-4-enoate is found in Briareum excavatum. Based on a literature review very few articles have been published on (1S,2S,3S,4R,5S,7S,8R,9R,10S,12Z,14S,17R)-2,7,9-tris(acetyloxy)-10-(butanoyloxy)-4,8,12,17-tetramethyl-16-oxo-15,18-dioxatetracyclo[12.4.0.0¹,¹⁷.0³,⁸]Octadec-12-en-5-yl pent-4-enoate.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309022217112D          

 48 51  0  0  1  0            999 V2000
    5.0013   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737   -3.3000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.8592   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -4.5375    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.1447   -4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737   -4.9500    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.8592   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2881   -4.5375    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.0026   -4.9500    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.7477   -4.1654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2997   -3.5523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0447   -2.7677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1892   -3.6413    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7171   -4.5375    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.1040   -3.9855    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8886   -3.7305    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.7171   -2.9236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7091   -3.6443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1216   -2.9298    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0446   -4.3980    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4315   -4.9500    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.4315   -5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7171   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7171   -7.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0026   -5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2881   -6.1875    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.2881   -7.0125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3262   -7.6725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6117   -7.2600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737   -8.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -8.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -9.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737   -5.7750    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.8592   -6.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -7.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737   -7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -7.4250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2881   -3.7125    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.0026   -3.3000    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
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  8  7  1  6  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  1  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 10 15  1  0  0  0  0
 15 16  1  6  0  0  0
 17 15  1  6  0  0  0
 17 18  1  0  0  0  0
 18 19  1  1  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  2  0  0  0  0
 18 23  1  0  0  0  0
 23 24  1  1  0  0  0
 24 25  1  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  6  0  0  0
 25 27  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
 30 29  1  1  0  0  0
 23 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 32 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  6  0  0  0
 36 37  1  0  0  0  0
 37 38  2  0  0  0  0
 37 39  1  0  0  0  0
 39 40  1  0  0  0  0
 40 41  1  0  0  0  0
 35 42  1  0  0  0  0
 15 42  1  0  0  0  0
 42 43  1  6  0  0  0
 43 44  1  0  0  0  0
 44 45  1  0  0  0  0
 44 46  2  0  0  0  0
 17 47  1  0  0  0  0
  8 47  1  0  0  0  0
 47 48  1  6  0  0  0
M  END

     RDKit          3D

 96 99  0  0  0  0  0  0  0  0999 V2000
    8.9608    0.6597    0.0814 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7924    1.2217    0.3192 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2650    2.2877   -0.5663 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9561    1.8513   -1.1681 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9229    1.5811   -0.1385 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0545    1.7142    1.0847 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6975    1.1372   -0.6028 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5816    0.8241    0.2133 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.5553    1.8626   -0.1458 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2099    1.5201    0.5208 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.1708    1.8858    1.8193 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4300    2.9223    2.4417 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2950    3.1050    3.8956 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0587    3.6441    1.6774 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3242    0.2334   -0.0158 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.4294    0.5033   -1.5204 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6937   -0.9150    0.0925 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.3433   -2.1312   -0.6771 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.2261   -1.9643   -1.9435 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2723   -2.4639   -3.1308 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3814   -2.2426   -4.4441 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3286   -3.1378   -3.1013 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4518   -3.1808    0.0794 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.1940   -3.5029    1.3717 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1955   -4.4755    0.4996 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.6755   -4.6714    0.3103 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7390   -5.5581    0.2033 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7020   -6.7084    0.6714 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6522   -5.0606   -0.6809 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7070   -3.6233   -0.5725 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.8367   -3.3574    0.3609 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5736   -2.2858    0.2497 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6963   -2.1082    1.2466 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3878   -1.2425   -0.7762 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8821    0.0608   -0.1595 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.9713    1.1610   -0.9955 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8636    2.2041   -0.9035 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6992    2.1697    0.0399 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8878    3.3504   -1.8485 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0048    4.3189   -1.4658 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7993    4.8519   -0.0666 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6133   -0.0975    0.6176 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.8592    0.4726    1.9008 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0238   -0.2594    3.0391 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2912    0.4044    4.3330 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9427   -1.5080    2.9442 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1136   -0.5891    0.0404 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.9277   -1.1363   -1.1210 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5348    0.9843   -0.7702 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3646   -0.1174    0.7113 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2209    0.9055    1.1597 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9960    2.4590   -1.3840 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1281    3.2418   -0.0055 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6220    2.6741   -1.8611 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1441    0.9589   -1.8017 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9689    1.0369    1.2556 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8394    2.8431    0.2202 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4308    1.8642   -1.2393 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4456    2.3241    0.0432 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2453    3.3396    4.3785 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4142    3.9390    4.1380 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1040    2.1724    4.3525 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5408    1.6184   -1.6954 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2600    0.0657   -2.0299 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5100    0.2446   -2.0091 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4506   -1.2398    1.1687 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2851   -2.6919   -0.8897 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4677   -3.2466   -4.9332 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4046   -1.8508   -4.3596 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2609   -1.6411   -5.1303 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9033   -5.7090    0.6740 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9617   -4.6464   -0.7555 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2222   -3.9771    0.9444 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8639   -3.2758   -1.5901 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0569   -4.0801    1.1650 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8979   -3.0249    1.8044 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5603   -1.2099    1.8553 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6077   -1.9229    0.6098 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9187   -1.5514   -1.6871 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4454   -0.9732   -1.1066 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7124    0.2452    0.6030 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9501    3.9454   -1.7997 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1175    3.0125   -2.8863 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9941    5.1489   -2.1737 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0003    3.7947   -1.5164 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5737    4.4471    0.6417 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8048    4.5739    0.3430 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8721    5.9561   -0.0140 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5692   -1.1911    0.8680 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3830    0.4371    4.9687 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6269    1.4285    4.1607 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1396   -0.0955    4.8705 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6114   -1.1311    0.9231 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1769   -2.2124   -1.0249 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9597   -0.6538   -1.1018 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5555   -0.9461   -2.1032 H   0  0  0  0  0  0  0  0  0  0  0  0
 41 40  1  0
 40 39  1  0
 39 37  1  0
 37 38  2  0
 37 36  1  0
 36 35  1  0
 35 34  1  0
 34 32  1  0
 32 33  1  0
 32 31  2  0
 31 30  1  0
 30 29  1  0
 29 27  1  0
 27 28  2  0
 27 25  1  0
 25 26  1  6
 25 24  1  0
 23 24  1  1
 23 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 20 22  2  0
 18 17  1  0
 17 47  1  0
 47 48  1  0
 47  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 12 14  2  0
 10 15  1  0
 15 16  1  6
 15 42  1  0
 42 43  1  0
 43 44  1  0
 44 45  1  0
 44 46  2  0
  8  7  1  0
  7  5  1  0
  5  6  2  0
  5  4  1  0
  4  3  1  0
  3  2  1  0
  2  1  2  3
 42 35  1  0
 23 30  1  0
 15 17  1  0
 23 25  1  0
 41 86  1  0
 41 87  1  0
 41 88  1  0
 40 84  1  0
 40 85  1  0
 39 82  1  0
 39 83  1  0
 35 81  1  1
 34 79  1  0
 34 80  1  0
 33 76  1  0
 33 77  1  0
 33 78  1  0
 31 75  1  0
 30 74  1  6
 26 71  1  0
 26 72  1  0
 26 73  1  0
 18 67  1  6
 21 68  1  0
 21 69  1  0
 21 70  1  0
 17 66  1  1
 47 93  1  1
 48 94  1  0
 48 95  1  0
 48 96  1  0
  8 56  1  1
  9 57  1  0
  9 58  1  0
 10 59  1  6
 13 60  1  0
 13 61  1  0
 13 62  1  0
 16 63  1  0
 16 64  1  0
 16 65  1  0
 42 89  1  1
 45 90  1  0
 45 91  1  0
 45 92  1  0
  4 54  1  0
  4 55  1  0
  3 52  1  0
  3 53  1  0
  2 51  1  0
  1 49  1  0
  1 50  1  0
M  END


  Mrv1652309022217112D          

 48 51  0  0  1  0            999 V2000
    5.0013   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737   -3.3000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.8592   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -4.5375    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.1447   -4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737   -4.9500    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.8592   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2881   -4.5375    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.0026   -4.9500    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.7477   -4.1654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2997   -3.5523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0447   -2.7677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1892   -3.6413    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7171   -4.5375    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.1040   -3.9855    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8886   -3.7305    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.7171   -2.9236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7091   -3.6443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1216   -2.9298    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0446   -4.3980    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4315   -4.9500    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.4315   -5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7171   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7171   -7.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0026   -5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2881   -6.1875    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.2881   -7.0125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3262   -7.6725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6117   -7.2600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737   -8.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -8.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -9.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737   -5.7750    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.8592   -6.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -7.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737   -7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -7.4250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2881   -3.7125    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.0026   -3.3000    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
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  8  7  1  6  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  1  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 10 15  1  0  0  0  0
 15 16  1  6  0  0  0
 17 15  1  6  0  0  0
 17 18  1  0  0  0  0
 18 19  1  1  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  2  0  0  0  0
 18 23  1  0  0  0  0
 23 24  1  1  0  0  0
 24 25  1  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  6  0  0  0
 25 27  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
 30 29  1  1  0  0  0
 23 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 32 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  6  0  0  0
 36 37  1  0  0  0  0
 37 38  2  0  0  0  0
 37 39  1  0  0  0  0
 39 40  1  0  0  0  0
 40 41  1  0  0  0  0
 35 42  1  0  0  0  0
 15 42  1  0  0  0  0
 42 43  1  6  0  0  0
 43 44  1  0  0  0  0
 44 45  1  0  0  0  0
 44 46  2  0  0  0  0
 17 47  1  0  0  0  0
  8 47  1  0  0  0  0
 47 48  1  6  0  0  0
M  END
> <DATABASE_ID>
NP0157737

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CCCC(=O)O[C@H]1C\C(C)=C/[C@@H]2OC(=O)[C@]3(C)O[C@]23[C@@H](OC(C)=O)[C@H]2[C@@H](C)[C@H](C[C@H](OC(C)=O)[C@]2(C)[C@H]1OC(C)=O)OC(=O)CCC=C

> <INCHI_IDENTIFIER>
InChI=1S/C35H48O13/c1-10-12-14-28(40)45-23-17-25(42-20(5)36)33(8)29(19(23)4)31(44-22(7)38)35-26(47-32(41)34(35,9)48-35)16-18(3)15-24(30(33)43-21(6)37)46-27(39)13-11-2/h10,16,19,23-26,29-31H,1,11-15,17H2,2-9H3/b18-16-/t19-,23-,24-,25-,26-,29+,30-,31-,33-,34-,35-/m0/s1

> <INCHI_KEY>
CSDJFJWUPXVMSU-AAMSOLKESA-N

> <FORMULA>
C35H48O13

> <MOLECULAR_WEIGHT>
676.756

> <EXACT_MASS>
676.309491606

> <JCHEM_ACCEPTOR_COUNT>
7

> <JCHEM_ATOM_COUNT>
96

> <JCHEM_AVERAGE_POLARIZABILITY>
70.53328424422176

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(1S,2S,3S,4R,5S,7S,8R,9R,10S,12Z,14S,17R)-2,7,9-tris(acetyloxy)-10-(butanoyloxy)-4,8,12,17-tetramethyl-16-oxo-15,18-dioxatetracyclo[12.4.0.0^{1,17}.0^{3,8}]octadec-12-en-5-yl pent-4-enoate

> <ALOGPS_LOGP>
3.34

> <JCHEM_LOGP>
3.511856641333332

> <ALOGPS_LOGS>
-4.85

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-4.359367971972554

> <JCHEM_POLAR_SURFACE_AREA>
170.32999999999998

> <JCHEM_REFRACTIVITY>
165.6134

> <JCHEM_ROTATABLE_BOND_COUNT>
15

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
9.54e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(1S,2S,3S,4R,5S,7S,8R,9R,10S,12Z,14S,17R)-2,7,9-tris(acetyloxy)-10-(butanoyloxy)-4,8,12,17-tetramethyl-16-oxo-15,18-dioxatetracyclo[12.4.0.0^{1,17}.0^{3,8}]octadec-12-en-5-yl pent-4-enoate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 02-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   02-SEP-22         0                                  
HETATM    1  C   UNK     0       9.336  -3.850   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      10.669  -4.620   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      12.003  -3.850   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      13.337  -4.620   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      14.670  -3.850   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0      14.670  -2.310   0.000  0.00  0.00           O+0
HETATM    7  O   UNK     0      16.004  -4.620   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0      16.004  -6.160   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      14.670  -6.930   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      14.670  -8.470   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0      13.337  -9.240   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0      12.003  -8.470   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      10.669  -9.240   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0      12.003  -6.930   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0      16.004  -9.240   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      14.670 -10.010   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      17.338  -8.470   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      18.672  -9.240   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0      18.196  -7.775   0.000  0.00  0.00           O+0
HETATM   20  C   UNK     0      19.226  -6.631   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      18.750  -5.166   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0      20.886  -6.797   0.000  0.00  0.00           O+0
HETATM   23  C   UNK     0      20.005  -8.470   0.000  0.00  0.00           C+0
HETATM   24  O   UNK     0      18.861  -7.440   0.000  0.00  0.00           O+0
HETATM   25  C   UNK     0      20.325  -6.964   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      20.005  -5.457   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      21.857  -6.803   0.000  0.00  0.00           C+0
HETATM   28  O   UNK     0      22.627  -5.469   0.000  0.00  0.00           O+0
HETATM   29  O   UNK     0      22.483  -8.210   0.000  0.00  0.00           O+0
HETATM   30  C   UNK     0      21.339  -9.240   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      21.339 -10.780   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      20.005 -11.550   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      20.005 -13.090   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      18.672 -10.780   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0      17.338 -11.550   0.000  0.00  0.00           C+0
HETATM   36  O   UNK     0      17.338 -13.090   0.000  0.00  0.00           O+0
HETATM   37  C   UNK     0      15.542 -14.322   0.000  0.00  0.00           C+0
HETATM   38  O   UNK     0      14.208 -13.552   0.000  0.00  0.00           O+0
HETATM   39  C   UNK     0      16.004 -15.400   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0      14.670 -16.170   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0      14.670 -17.710   0.000  0.00  0.00           C+0
HETATM   42  C   UNK     0      16.004 -10.780   0.000  0.00  0.00           C+0
HETATM   43  O   UNK     0      14.670 -11.550   0.000  0.00  0.00           O+0
HETATM   44  C   UNK     0      14.670 -13.090   0.000  0.00  0.00           C+0
HETATM   45  C   UNK     0      16.004 -13.860   0.000  0.00  0.00           C+0
HETATM   46  O   UNK     0      13.337 -13.860   0.000  0.00  0.00           O+0
HETATM   47  C   UNK     0      17.338  -6.930   0.000  0.00  0.00           C+0
HETATM   48  C   UNK     0      18.672  -6.160   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    7                                                  
CONECT    6    5                                                            
CONECT    7    5    8                                                       
CONECT    8    7    9   47                                                  
CONECT    9    8   10                                                       
CONECT   10    9   11   15                                                  
CONECT   11   10   12                                                       
CONECT   12   11   13   14                                                  
CONECT   13   12                                                            
CONECT   14   12                                                            
CONECT   15   10   16   17   42                                             
CONECT   16   15                                                            
CONECT   17   15   18   47                                                  
CONECT   18   17   19   23                                                  
CONECT   19   18   20                                                       
CONECT   20   19   21   22                                                  
CONECT   21   20                                                            
CONECT   22   20                                                            
CONECT   23   18   24   25   30                                             
CONECT   24   23   25                                                       
CONECT   25   24   23   26   27                                             
CONECT   26   25                                                            
CONECT   27   25   28   29                                                  
CONECT   28   27                                                            
CONECT   29   27   30                                                       
CONECT   30   29   23   31                                                  
CONECT   31   30   32                                                       
CONECT   32   31   33   34                                                  
CONECT   33   32                                                            
CONECT   34   32   35                                                       
CONECT   35   34   36   42                                                  
CONECT   36   35   37                                                       
CONECT   37   36   38   39                                                  
CONECT   38   37                                                            
CONECT   39   37   40                                                       
CONECT   40   39   41                                                       
CONECT   41   40                                                            
CONECT   42   35   15   43                                                  
CONECT   43   42   44                                                       
CONECT   44   43   45   46                                                  
CONECT   45   44                                                            
CONECT   46   44                                                            
CONECT   47   17    8   48                                                  
CONECT   48   47                                                            
MASTER        0    0    0    0    0    0    0    0   48    0  102    0
END

View in JSmol

Synonyms

Value	Source
(1S,2S,3S,4R,5S,7S,8R,9R,10S,12Z,14S,17R)-2,7,9-Tris(acetyloxy)-10-(butanoyloxy)-4,8,12,17-tetramethyl-16-oxo-15,18-dioxatetracyclo[12.4.0.0,.0,]octadec-12-en-5-yl pent-4-enoic acid	Generator

Chemical Formula

C₃₅H₄₈O₁₃

Average Mass

676.7560 Da

Monoisotopic Mass

676.30949 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

CCCC(=O)O[C@H]1C\C(C)=C/[C@@H]2OC(=O)[C@]3(C)O[C@]23[C@@H](OC(C)=O)[C@H]2[C@@H](C)[C@H](C[C@H](OC(C)=O)[C@]2(C)[C@H]1OC(C)=O)OC(=O)CCC=C

InChI Identifier

InChI=1S/C35H48O13/c1-10-12-14-28(40)45-23-17-25(42-20(5)36)33(8)29(19(23)4)31(44-22(7)38)35-26(47-32(41)34(35,9)48-35)16-18(3)15-24(30(33)43-21(6)37)46-27(39)13-11-2/h10,16,19,23-26,29-31H,1,11-15,17H2,2-9H3/b18-16-/t19-,23-,24-,25-,26-,29+,30-,31-,33-,34-,35-/m0/s1

InChI Key

CSDJFJWUPXVMSU-AAMSOLKESA-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 excavatum	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

Diterpene lactone
Diterpenoid
Hexacarboxylic acid or derivatives
Briarane diterpenoid
Fatty acid ester
Para-dioxane
Gamma butyrolactone
Fatty acyl
Tetrahydrofuran
Lactone
Carboxylic acid ester
Oxacycle
Ether
Oxirane
Dialkyl ether
Carboxylic acid derivative
Organoheterocyclic compound
Organooxygen compound
Hydrocarbon derivative
Organic oxide
Organic oxygen compound
Carbonyl group
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

10481356

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

162897627

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,5s,7s,8r,9r,10s,12z,14s,17r)-2,7,9-tris(acetyloxy)-10-(butanoyloxy)-4,8,12,17-tetramethyl-16-oxo-15,18-dioxatetracyclo[12.4.0.0¹,¹⁷.0³,⁸]octadec-12-en-5-yl pent-4-enoate (NP0157737)

MOL for NP0157737 ((1s,2s,3s,4r,5s,7s,8r,9r,10s,12z,14s,17r)-2,7,9-tris(acetyloxy)-10-(butanoyloxy)-4,8,12,17-tetramethyl-16-oxo-15,18-dioxatetracyclo[12.4.0.0¹,¹⁷.0³,⁸]octadec-12-en-5-yl pent-4-enoate)

3D MOL for NP0157737 ((1s,2s,3s,4r,5s,7s,8r,9r,10s,12z,14s,17r)-2,7,9-tris(acetyloxy)-10-(butanoyloxy)-4,8,12,17-tetramethyl-16-oxo-15,18-dioxatetracyclo[12.4.0.0¹,¹⁷.0³,⁸]octadec-12-en-5-yl pent-4-enoate)

3D SDF for NP0157737 ((1s,2s,3s,4r,5s,7s,8r,9r,10s,12z,14s,17r)-2,7,9-tris(acetyloxy)-10-(butanoyloxy)-4,8,12,17-tetramethyl-16-oxo-15,18-dioxatetracyclo[12.4.0.0¹,¹⁷.0³,⁸]octadec-12-en-5-yl pent-4-enoate)

3D-SDF for NP0157737 ((1s,2s,3s,4r,5s,7s,8r,9r,10s,12z,14s,17r)-2,7,9-tris(acetyloxy)-10-(butanoyloxy)-4,8,12,17-tetramethyl-16-oxo-15,18-dioxatetracyclo[12.4.0.0¹,¹⁷.0³,⁸]octadec-12-en-5-yl pent-4-enoate)

PDB for NP0157737 ((1s,2s,3s,4r,5s,7s,8r,9r,10s,12z,14s,17r)-2,7,9-tris(acetyloxy)-10-(butanoyloxy)-4,8,12,17-tetramethyl-16-oxo-15,18-dioxatetracyclo[12.4.0.0¹,¹⁷.0³,⁸]octadec-12-en-5-yl pent-4-enoate)

3D PDB for NP0157737 ((1s,2s,3s,4r,5s,7s,8r,9r,10s,12z,14s,17r)-2,7,9-tris(acetyloxy)-10-(butanoyloxy)-4,8,12,17-tetramethyl-16-oxo-15,18-dioxatetracyclo[12.4.0.0¹,¹⁷.0³,⁸]octadec-12-en-5-yl pent-4-enoate)

SMILES for NP0157737 ((1s,2s,3s,4r,5s,7s,8r,9r,10s,12z,14s,17r)-2,7,9-tris(acetyloxy)-10-(butanoyloxy)-4,8,12,17-tetramethyl-16-oxo-15,18-dioxatetracyclo[12.4.0.0¹,¹⁷.0³,⁸]octadec-12-en-5-yl pent-4-enoate)

INCHI for NP0157737 ((1s,2s,3s,4r,5s,7s,8r,9r,10s,12z,14s,17r)-2,7,9-tris(acetyloxy)-10-(butanoyloxy)-4,8,12,17-tetramethyl-16-oxo-15,18-dioxatetracyclo[12.4.0.0¹,¹⁷.0³,⁸]octadec-12-en-5-yl pent-4-enoate)

Structure for NP0157737 ((1s,2s,3s,4r,5s,7s,8r,9r,10s,12z,14s,17r)-2,7,9-tris(acetyloxy)-10-(butanoyloxy)-4,8,12,17-tetramethyl-16-oxo-15,18-dioxatetracyclo[12.4.0.0¹,¹⁷.0³,⁸]octadec-12-en-5-yl pent-4-enoate)

3D Structure for NP0157737 ((1s,2s,3s,4r,5s,7s,8r,9r,10s,12z,14s,17r)-2,7,9-tris(acetyloxy)-10-(butanoyloxy)-4,8,12,17-tetramethyl-16-oxo-15,18-dioxatetracyclo[12.4.0.0¹,¹⁷.0³,⁸]octadec-12-en-5-yl pent-4-enoate)