NP-MRD: Showing NP-Card for (1r,3r,4s,6s,8s,9s,10s,12r,13s,14r,15r)-1,8,12,14,15-pentakis(acetyloxy)-3,7,7,15-tetramethyl-11-methylidene-10-(2-methylpropoxy)-2-oxo-5-oxatricyclo[11.3.0.0⁴,⁶]hexadecan-9-yl acetate (NP0234983)

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Record Information

Version

2.0

Created at

2022-09-06 17:21:20 UTC

Updated at

2022-09-06 17:21:20 UTC

NP-MRD ID

NP0234983

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(1r,3r,4s,6s,8s,9s,10s,12r,13s,14r,15r)-1,8,12,14,15-pentakis(acetyloxy)-3,7,7,15-tetramethyl-11-methylidene-10-(2-methylpropoxy)-2-oxo-5-oxatricyclo[11.3.0.0⁴,⁶]hexadecan-9-yl acetate

Description

Esulatin A belongs to the class of organic compounds known as hexacarboxylic acids and derivatives. These are carboxylic acids containing exactly six carboxyl groups. (1r,3r,4s,6s,8s,9s,10s,12r,13s,14r,15r)-1,8,12,14,15-pentakis(acetyloxy)-3,7,7,15-tetramethyl-11-methylidene-10-(2-methylpropoxy)-2-oxo-5-oxatricyclo[11.3.0.0⁴,⁶]hexadecan-9-yl acetate is found in Euphorbia esula and Euphorbia salicifolia. (1r,3r,4s,6s,8s,9s,10s,12r,13s,14r,15r)-1,8,12,14,15-pentakis(acetyloxy)-3,7,7,15-tetramethyl-11-methylidene-10-(2-methylpropoxy)-2-oxo-5-oxatricyclo[11.3.0.0⁴,⁶]hexadecan-9-yl acetate was first documented in 1998 (PMID: 9703704). Based on a literature review very few articles have been published on Esulatin A.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309062219212D          

 51 53  0  0  1  0            999 V2000
    3.8677   -0.9734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3393   -0.3398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6237    0.4346    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.0953    1.0682    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3798    1.8426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8514    2.4761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0385    2.3353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1359    3.2505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4366    0.5754    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.7211    1.3498    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1927    1.9834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4523    2.3473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4772    2.7578    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9650   -0.0581    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.7779    0.0827    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0624    0.8571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5340    1.4906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8753    0.9979    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6806   -0.8325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3963   -0.4222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4926   -0.9782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2090   -1.4661    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.7374   -2.0997    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9245   -2.2405    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.1116   -2.3813    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.8271   -3.1557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5832   -1.7478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2685   -1.2885    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7703   -1.8886    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.2296   -2.5739    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8657   -3.3143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3250   -3.9997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0425   -3.3694    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3310   -2.5869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5311   -2.3849    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.7067   -2.3537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4138   -3.2016    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6480   -3.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5307   -4.3249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0006   -2.9984    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4760   -1.5618    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7777   -1.1225    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0481   -1.5076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0168   -2.3320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6502   -1.0683    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2419   -1.2550    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.5264   -0.4806    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.9980    0.1530    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1851    0.0121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9006   -0.7623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6567    0.6457    0.0000 O   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  6  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  3  9  1  0  0  0  0
  9 10  1  6  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
  9 14  1  0  0  0  0
 14 15  1  1  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 14 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 19 22  1  0  0  0  0
 22 23  1  6  0  0  0
 24 23  1  1  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  1  0  0  0
 25 27  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
 29 30  1  6  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 31 33  2  0  0  0  0
 29 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  6  0  0  0
 35 37  1  1  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 38 40  2  0  0  0  0
 35 41  1  0  0  0  0
 41 42  1  6  0  0  0
 42 43  1  0  0  0  0
 43 44  1  0  0  0  0
 43 45  2  0  0  0  0
 46 41  1  6  0  0  0
 29 46  1  0  0  0  0
 46 47  1  0  0  0  0
  2 47  1  0  0  0  0
 47 48  1  1  0  0  0
 48 49  1  0  0  0  0
 49 50  1  0  0  0  0
 49 51  2  0  0  0  0
M  END

     RDKit          3D

103105  0  0  0  0  0  0  0  0999 V2000
   -0.1689    1.7707   -1.5690 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0997    1.2668   -0.3676 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5095    0.9546   -0.0726 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.1081    2.2573    0.0886 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6936    2.4099    1.3199 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2622    3.8165    1.3899 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2779    4.0185    0.3138 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9413    3.9452    2.7519 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3426    0.1792   -1.0126 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.9713    0.0679   -2.3440 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6959    0.6005   -3.4330 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2186    0.4273   -4.8198 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7480    1.2166   -3.1463 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9739   -1.0590   -0.4197 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.6915   -1.1318    0.9734 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7219   -1.1488    1.8978 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4502   -1.2241    3.3575 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9168   -1.0994    1.4911 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6076   -2.3829   -0.9875 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8626   -3.2869   -0.7549 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4151   -2.4530   -2.4744 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5214   -3.0559   -0.2134 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.3468   -4.5100   -0.3982 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4356   -3.5067   -0.9730 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.9193   -3.3493   -0.2764 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.8048   -4.1028    1.0626 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1234   -1.9380    0.0715 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3662   -1.5318    0.9795 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0723   -0.9497   -0.4833 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.7389   -0.5666   -1.7276 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6036   -1.1600   -2.9257 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2132   -0.4529   -4.1681 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8220   -2.3649   -2.9869 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5008   -1.4361   -0.3008 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3313   -0.3023    0.2475 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.6381   -0.1194   -0.4458 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6584   -0.7135    1.5892 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3568   -1.8617    1.8468 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6686   -2.2449    3.2465 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7233   -2.5751    0.8894 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4469    0.8881    0.2914 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.5420    1.8910   -0.5649 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7866    3.2202   -0.4798 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8424    4.1657   -1.6261 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9692    3.6032    0.6890 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0817    0.2008    0.4897 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.0096    1.1535    0.5843 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.5462    1.1716    1.9416 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7909    2.1827    2.8237 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3181    2.2164    4.2308 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4551    3.1455    2.4295 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6009    1.9510   -2.3112 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1902    2.0342   -1.8302 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6620    0.4597    0.9325 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4850    1.6571    1.5280 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9382    2.3246    2.1132 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4751    4.5774    1.2946 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5603    5.0671    0.1733 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1420    3.3510    0.5453 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8567    3.6570   -0.6431 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8905    5.0063    3.0640 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4557    3.2545    3.4752 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9912    3.6501    2.6036 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3085    0.8537   -1.1147 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7934   -0.5753   -4.9688 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4526    1.1799   -5.1027 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1006    0.5138   -5.4968 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1024   -0.9858   -0.5246 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1900   -0.6029    3.8844 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5903   -2.2747    3.6839 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3994   -0.9523    3.5795 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7132   -2.6451   -1.0603 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9679   -3.5266    0.3037 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8382   -4.1565   -1.4207 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3784   -3.5650   -2.7472 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3431   -2.1179   -2.9752 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4814   -2.0575   -2.8573 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4843   -2.8893    0.8831 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4601   -3.6047   -2.0637 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6644   -3.8662   -0.8356 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8159   -4.2717    1.4930 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2777   -3.4097    1.7478 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2170   -5.0345    0.9345 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7531   -1.1845   -4.8935 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5414    0.3877   -4.0394 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1108   -0.0673   -4.7186 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4327   -2.3157    0.3710 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9743   -1.7824   -1.2261 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0414   -1.0691   -0.8616 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5402    0.5436   -1.3575 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4386    0.2598    0.2311 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3696   -1.4412    3.9329 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1029   -3.1571    3.5631 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7452   -2.4406    3.3249 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6202    1.3681    1.2920 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6350    4.9193   -1.3569 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1871    3.6734   -2.5592 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8900    4.6638   -1.8004 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2317   -0.3869    1.4963 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5417    2.1882    0.5425 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1825    1.9628    4.8935 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4341    1.4166    4.3891 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0948    3.2178    4.4639 H   0  0  0  0  0  0  0  0  0  0  0  0
  7  6  1  0
  6  8  1  0
  6  5  1  0
  5  4  1  0
  4  3  1  0
  3  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 11 13  2  0
  9 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 16 18  2  0
 14 19  1  0
 19 20  1  0
 19 21  1  0
 19 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 25 27  1  0
 27 28  2  0
 27 29  1  0
 29 34  1  0
 34 35  1  0
 35 36  1  0
 35 37  1  1
 37 38  1  0
 38 39  1  0
 38 40  2  0
 35 41  1  0
 41 42  1  0
 42 43  1  0
 43 44  1  0
 43 45  2  0
 41 46  1  0
 46 47  1  0
 47 48  1  0
 48 49  1  0
 49 50  1  0
 49 51  2  0
 47  2  1  0
  2  1  2  3
 29 30  1  6
 30 31  1  0
 31 32  1  0
 31 33  2  0
  2  3  1  0
 24 22  1  0
 46 29  1  0
  7 58  1  0
  7 59  1  0
  7 60  1  0
  6 57  1  0
  8 61  1  0
  8 62  1  0
  8 63  1  0
  5 55  1  0
  5 56  1  0
  3 54  1  1
  9 64  1  6
 12 65  1  0
 12 66  1  0
 12 67  1  0
 14 68  1  1
 17 69  1  0
 17 70  1  0
 17 71  1  0
 20 72  1  0
 20 73  1  0
 20 74  1  0
 21 75  1  0
 21 76  1  0
 21 77  1  0
 22 78  1  1
 24 79  1  6
 25 80  1  6
 26 81  1  0
 26 82  1  0
 26 83  1  0
 34 87  1  0
 34 88  1  0
 36 89  1  0
 36 90  1  0
 36 91  1  0
 39 92  1  0
 39 93  1  0
 39 94  1  0
 41 95  1  1
 44 96  1  0
 44 97  1  0
 44 98  1  0
 46 99  1  1
 47100  1  1
 50101  1  0
 50102  1  0
 50103  1  0
  1 52  1  0
  1 53  1  0
 32 84  1  0
 32 85  1  0
 32 86  1  0
M  END


  Mrv1652309062219212D          

 51 53  0  0  1  0            999 V2000
    3.8677   -0.9734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3393   -0.3398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6237    0.4346    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.0953    1.0682    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3798    1.8426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8514    2.4761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0385    2.3353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1359    3.2505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4366    0.5754    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.7211    1.3498    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1927    1.9834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4523    2.3473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4772    2.7578    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9650   -0.0581    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.7779    0.0827    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0624    0.8571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5340    1.4906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8753    0.9979    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6806   -0.8325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3963   -0.4222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4926   -0.9782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2090   -1.4661    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.7374   -2.0997    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9245   -2.2405    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.1116   -2.3813    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.8271   -3.1557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5832   -1.7478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2685   -1.2885    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7703   -1.8886    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.2296   -2.5739    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8657   -3.3143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3250   -3.9997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0425   -3.3694    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3310   -2.5869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5311   -2.3849    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.7067   -2.3537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4138   -3.2016    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6480   -3.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5307   -4.3249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0006   -2.9984    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4760   -1.5618    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7777   -1.1225    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0481   -1.5076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0168   -2.3320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6502   -1.0683    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2419   -1.2550    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.5264   -0.4806    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.9980    0.1530    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1851    0.0121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9006   -0.7623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6567    0.6457    0.0000 O   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  6  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  3  9  1  0  0  0  0
  9 10  1  6  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
  9 14  1  0  0  0  0
 14 15  1  1  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 14 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 19 22  1  0  0  0  0
 22 23  1  6  0  0  0
 24 23  1  1  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  1  0  0  0
 25 27  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
 29 30  1  6  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 31 33  2  0  0  0  0
 29 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  6  0  0  0
 35 37  1  1  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 38 40  2  0  0  0  0
 35 41  1  0  0  0  0
 41 42  1  6  0  0  0
 42 43  1  0  0  0  0
 43 44  1  0  0  0  0
 43 45  2  0  0  0  0
 46 41  1  6  0  0  0
 29 46  1  0  0  0  0
 46 47  1  0  0  0  0
  2 47  1  0  0  0  0
 47 48  1  1  0  0  0
 48 49  1  0  0  0  0
 49 50  1  0  0  0  0
 49 51  2  0  0  0  0
M  END
> <DATABASE_ID>
NP0234983

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC(C)CO[C@@H]1[C@H](OC(C)=O)[C@@H](OC(C)=O)C(C)(C)[C@@H]2O[C@H]2[C@@H](C)C(=O)[C@]2(C[C@@](C)(OC(C)=O)[C@H](OC(C)=O)[C@@H]2[C@@H](OC(C)=O)C1=C)OC(C)=O

> <INCHI_IDENTIFIER>
InChI=1S/C36H52O15/c1-16(2)14-44-27-17(3)26(45-19(5)37)25-31(47-21(7)39)35(13,50-23(9)41)15-36(25,51-24(10)42)30(43)18(4)28-32(49-28)34(11,12)33(48-22(8)40)29(27)46-20(6)38/h16,18,25-29,31-33H,3,14-15H2,1-2,4-13H3/t18-,25+,26+,27+,28+,29+,31-,32-,33-,35-,36-/m1/s1

> <INCHI_KEY>
BKVBYHVSLQCIAC-LYPUJKLQSA-N

> <FORMULA>
C36H52O15

> <MOLECULAR_WEIGHT>
724.797

> <EXACT_MASS>
724.330620974

> <JCHEM_ACCEPTOR_COUNT>
9

> <JCHEM_ATOM_COUNT>
103

> <JCHEM_AVERAGE_POLARIZABILITY>
73.7414174317636

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(1R,3R,4S,6S,8S,9S,10S,12R,13S,14R,15R)-1,8,12,14,15-pentakis(acetyloxy)-3,7,7,15-tetramethyl-11-methylidene-10-(2-methylpropoxy)-2-oxo-5-oxatricyclo[11.3.0.0^{4,6}]hexadecan-9-yl acetate

> <JCHEM_LOGP>
2.3498543370000013

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
15.647558430408878

> <JCHEM_PKA_STRONGEST_BASIC>
-3.9010880271306587

> <JCHEM_POLAR_SURFACE_AREA>
196.63

> <JCHEM_REFRACTIVITY>
172.5599

> <JCHEM_ROTATABLE_BOND_COUNT>
15

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(1R,3R,4S,6S,8S,9S,10S,12R,13S,14R,15R)-1,8,12,14,15-pentakis(acetyloxy)-3,7,7,15-tetramethyl-11-methylidene-10-(2-methylpropoxy)-2-oxo-5-oxatricyclo[11.3.0.0^{4,6}]hexadecan-9-yl acetate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 06-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   06-SEP-22         0                                  
HETATM    1  C   UNK     0       7.220  -1.817   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       6.233  -0.634   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       6.764   0.811   0.000  0.00  0.00           C+0
HETATM    4  O   UNK     0       5.778   1.994   0.000  0.00  0.00           O+0
HETATM    5  C   UNK     0       6.309   3.439   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       5.323   4.622   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       3.805   4.359   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       5.854   6.068   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       8.282   1.074   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0       8.813   2.520   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0       7.826   3.702   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       6.444   4.382   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0       8.357   5.148   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0       9.268  -0.109   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0      10.785   0.154   0.000  0.00  0.00           O+0
HETATM   16  C   UNK     0      11.317   1.600   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      10.330   2.783   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0      12.834   1.863   0.000  0.00  0.00           O+0
HETATM   19  C   UNK     0       8.737  -1.554   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      10.073  -0.788   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      10.253  -1.826   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       9.723  -2.737   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0      10.710  -3.919   0.000  0.00  0.00           O+0
HETATM   24  C   UNK     0       9.192  -4.182   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       7.675  -4.445   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       7.144  -5.891   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       6.689  -3.262   0.000  0.00  0.00           C+0
HETATM   28  O   UNK     0       7.968  -2.405   0.000  0.00  0.00           O+0
HETATM   29  C   UNK     0       5.171  -3.525   0.000  0.00  0.00           C+0
HETATM   30  O   UNK     0       6.029  -4.805   0.000  0.00  0.00           O+0
HETATM   31  C   UNK     0       5.349  -6.187   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0       6.207  -7.466   0.000  0.00  0.00           C+0
HETATM   33  O   UNK     0       3.813  -6.290   0.000  0.00  0.00           O+0
HETATM   34  C   UNK     0       4.351  -4.829   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0       2.858  -4.452   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0       1.319  -4.394   0.000  0.00  0.00           C+0
HETATM   37  O   UNK     0       2.639  -5.976   0.000  0.00  0.00           O+0
HETATM   38  C   UNK     0       1.210  -6.549   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0       0.991  -8.073   0.000  0.00  0.00           C+0
HETATM   40  O   UNK     0      -0.001  -5.597   0.000  0.00  0.00           O+0
HETATM   41  C   UNK     0       2.755  -2.915   0.000  0.00  0.00           C+0
HETATM   42  O   UNK     0       1.452  -2.095   0.000  0.00  0.00           O+0
HETATM   43  C   UNK     0       0.090  -2.814   0.000  0.00  0.00           C+0
HETATM   44  C   UNK     0       0.031  -4.353   0.000  0.00  0.00           C+0
HETATM   45  O   UNK     0      -1.214  -1.994   0.000  0.00  0.00           O+0
HETATM   46  C   UNK     0       4.185  -2.343   0.000  0.00  0.00           C+0
HETATM   47  C   UNK     0       4.716  -0.897   0.000  0.00  0.00           C+0
HETATM   48  O   UNK     0       3.730   0.286   0.000  0.00  0.00           O+0
HETATM   49  C   UNK     0       2.212   0.023   0.000  0.00  0.00           C+0
HETATM   50  C   UNK     0       1.681  -1.423   0.000  0.00  0.00           C+0
HETATM   51  O   UNK     0       1.226   1.205   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3   47                                                  
CONECT    3    2    4    9                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7    8                                                  
CONECT    7    6                                                            
CONECT    8    6                                                            
CONECT    9    3   10   14                                                  
CONECT   10    9   11                                                       
CONECT   11   10   12   13                                                  
CONECT   12   11                                                            
CONECT   13   11                                                            
CONECT   14    9   15   19                                                  
CONECT   15   14   16                                                       
CONECT   16   15   17   18                                                  
CONECT   17   16                                                            
CONECT   18   16                                                            
CONECT   19   14   20   21   22                                             
CONECT   20   19                                                            
CONECT   21   19                                                            
CONECT   22   19   23   24                                                  
CONECT   23   22   24                                                       
CONECT   24   23   22   25                                                  
CONECT   25   24   26   27                                                  
CONECT   26   25                                                            
CONECT   27   25   28   29                                                  
CONECT   28   27                                                            
CONECT   29   27   30   34   46                                             
CONECT   30   29   31                                                       
CONECT   31   30   32   33                                                  
CONECT   32   31                                                            
CONECT   33   31                                                            
CONECT   34   29   35                                                       
CONECT   35   34   36   37   41                                             
CONECT   36   35                                                            
CONECT   37   35   38                                                       
CONECT   38   37   39   40                                                  
CONECT   39   38                                                            
CONECT   40   38                                                            
CONECT   41   35   42   46                                                  
CONECT   42   41   43                                                       
CONECT   43   42   44   45                                                  
CONECT   44   43                                                            
CONECT   45   43                                                            
CONECT   46   41   29   47                                                  
CONECT   47   46    2   48                                                  
CONECT   48   47   49                                                       
CONECT   49   48   50   51                                                  
CONECT   50   49                                                            
CONECT   51   49                                                            
MASTER        0    0    0    0    0    0    0    0   51    0  106    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₃₆H₅₂O₁₅

Average Mass

724.7970 Da

Monoisotopic Mass

724.33062 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

CC(C)CO[C@@H]1[C@H](OC(C)=O)[C@@H](OC(C)=O)C(C)(C)[C@@H]2O[C@H]2[C@@H](C)C(=O)[C@]2(C[C@@](C)(OC(C)=O)[C@H](OC(C)=O)[C@@H]2[C@@H](OC(C)=O)C1=C)OC(C)=O

InChI Identifier

InChI=1S/C36H52O15/c1-16(2)14-44-27-17(3)26(45-19(5)37)25-31(47-21(7)39)35(13,50-23(9)41)15-36(25,51-24(10)42)30(43)18(4)28-32(49-28)34(11,12)33(48-22(8)40)29(27)46-20(6)38/h16,18,25-29,31-33H,3,14-15H2,1-2,4-13H3/t18-,25+,26+,27+,28+,29+,31-,32-,33-,35-,36-/m1/s1

InChI Key

BKVBYHVSLQCIAC-LYPUJKLQSA-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
Euphorbia esula	LOTUS Database	35616633
Euphorbia salicifolia	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as hexacarboxylic acids and derivatives. These are carboxylic acids containing exactly six carboxyl groups.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Hexacarboxylic acids and derivatives

Direct Parent

Hexacarboxylic acids and derivatives

Alternative Parents

Substituents

Hexacarboxylic acid or derivatives
Alpha-acyloxy ketone
Cyclitol or derivatives
Ketone
Carboxylic acid ester
Oxacycle
Organoheterocyclic compound
Ether
Oxirane
Dialkyl ether
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
Organooxygen 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

C00050093

Chemspider ID

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

101704734

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Hohmann J, Vasas A, Gunther G, Mathe I, Evanics F, Dombi G, Jerkovich G: [Macrocyclic diterpene polyesters of the jatrophane type from Euphorbia esula]. Acta Pharm Hung. 1998 May;68(3):175-82. [PubMed:9703704 ]
LOTUS database [Link]

Showing NP-Card for (1r,3r,4s,6s,8s,9s,10s,12r,13s,14r,15r)-1,8,12,14,15-pentakis(acetyloxy)-3,7,7,15-tetramethyl-11-methylidene-10-(2-methylpropoxy)-2-oxo-5-oxatricyclo[11.3.0.0⁴,⁶]hexadecan-9-yl acetate (NP0234983)

MOL for NP0234983 ((1r,3r,4s,6s,8s,9s,10s,12r,13s,14r,15r)-1,8,12,14,15-pentakis(acetyloxy)-3,7,7,15-tetramethyl-11-methylidene-10-(2-methylpropoxy)-2-oxo-5-oxatricyclo[11.3.0.0⁴,⁶]hexadecan-9-yl acetate)

3D MOL for NP0234983 ((1r,3r,4s,6s,8s,9s,10s,12r,13s,14r,15r)-1,8,12,14,15-pentakis(acetyloxy)-3,7,7,15-tetramethyl-11-methylidene-10-(2-methylpropoxy)-2-oxo-5-oxatricyclo[11.3.0.0⁴,⁶]hexadecan-9-yl acetate)

3D SDF for NP0234983 ((1r,3r,4s,6s,8s,9s,10s,12r,13s,14r,15r)-1,8,12,14,15-pentakis(acetyloxy)-3,7,7,15-tetramethyl-11-methylidene-10-(2-methylpropoxy)-2-oxo-5-oxatricyclo[11.3.0.0⁴,⁶]hexadecan-9-yl acetate)

3D-SDF for NP0234983 ((1r,3r,4s,6s,8s,9s,10s,12r,13s,14r,15r)-1,8,12,14,15-pentakis(acetyloxy)-3,7,7,15-tetramethyl-11-methylidene-10-(2-methylpropoxy)-2-oxo-5-oxatricyclo[11.3.0.0⁴,⁶]hexadecan-9-yl acetate)

PDB for NP0234983 ((1r,3r,4s,6s,8s,9s,10s,12r,13s,14r,15r)-1,8,12,14,15-pentakis(acetyloxy)-3,7,7,15-tetramethyl-11-methylidene-10-(2-methylpropoxy)-2-oxo-5-oxatricyclo[11.3.0.0⁴,⁶]hexadecan-9-yl acetate)

3D PDB for NP0234983 ((1r,3r,4s,6s,8s,9s,10s,12r,13s,14r,15r)-1,8,12,14,15-pentakis(acetyloxy)-3,7,7,15-tetramethyl-11-methylidene-10-(2-methylpropoxy)-2-oxo-5-oxatricyclo[11.3.0.0⁴,⁶]hexadecan-9-yl acetate)

SMILES for NP0234983 ((1r,3r,4s,6s,8s,9s,10s,12r,13s,14r,15r)-1,8,12,14,15-pentakis(acetyloxy)-3,7,7,15-tetramethyl-11-methylidene-10-(2-methylpropoxy)-2-oxo-5-oxatricyclo[11.3.0.0⁴,⁶]hexadecan-9-yl acetate)

INCHI for NP0234983 ((1r,3r,4s,6s,8s,9s,10s,12r,13s,14r,15r)-1,8,12,14,15-pentakis(acetyloxy)-3,7,7,15-tetramethyl-11-methylidene-10-(2-methylpropoxy)-2-oxo-5-oxatricyclo[11.3.0.0⁴,⁶]hexadecan-9-yl acetate)

Structure for NP0234983 ((1r,3r,4s,6s,8s,9s,10s,12r,13s,14r,15r)-1,8,12,14,15-pentakis(acetyloxy)-3,7,7,15-tetramethyl-11-methylidene-10-(2-methylpropoxy)-2-oxo-5-oxatricyclo[11.3.0.0⁴,⁶]hexadecan-9-yl acetate)

3D Structure for NP0234983 ((1r,3r,4s,6s,8s,9s,10s,12r,13s,14r,15r)-1,8,12,14,15-pentakis(acetyloxy)-3,7,7,15-tetramethyl-11-methylidene-10-(2-methylpropoxy)-2-oxo-5-oxatricyclo[11.3.0.0⁴,⁶]hexadecan-9-yl acetate)