NP-MRD: Showing NP-Card for 11-({[3-(acetyloxy)-4,5-dihydroxyoxan-2-yl]oxy}methyl)-12-hydroxy-8-isopropyl-1,5-dimethyl-15-oxatricyclo[10.2.1.0⁴,⁹]pentadeca-5,10,13-trien-2-yl 3-(1-methylimidazol-4-yl)prop-2-enoate (NP0306002)

Jump To Section:

Identification Spectra BioTaxonomy ChemoTaxonomy Physical properties Links References XML

Record Information

Version

2.0

Created at

2022-09-10 22:13:07 UTC

Updated at

2022-09-10 22:13:07 UTC

NP-MRD ID

NP0306002

Secondary Accession Numbers

None

Natural Product Identification

Common Name

11-({[3-(acetyloxy)-4,5-dihydroxyoxan-2-yl]oxy}methyl)-12-hydroxy-8-isopropyl-1,5-dimethyl-15-oxatricyclo[10.2.1.0⁴,⁹]pentadeca-5,10,13-trien-2-yl 3-(1-methylimidazol-4-yl)prop-2-enoate

Description

11-({[3-(Acetyloxy)-4,5-dihydroxyoxan-2-yl]oxy}methyl)-12-hydroxy-1,5-dimethyl-8-(propan-2-yl)-15-oxatricyclo[10.2.1.0⁴,⁹]Pentadeca-5,10,13-trien-2-yl 3-(1-methyl-1H-imidazol-4-yl)prop-2-enoate belongs to the class of organic compounds known as sesquiterpenoids. These are terpenes with three consecutive isoprene units. 11-({[3-(acetyloxy)-4,5-dihydroxyoxan-2-yl]oxy}methyl)-12-hydroxy-8-isopropyl-1,5-dimethyl-15-oxatricyclo[10.2.1.0⁴,⁹]pentadeca-5,10,13-trien-2-yl 3-(1-methylimidazol-4-yl)prop-2-enoate is found in Erythropodium caribaeorum. 11-({[3-(Acetyloxy)-4,5-dihydroxyoxan-2-yl]oxy}methyl)-12-hydroxy-1,5-dimethyl-8-(propan-2-yl)-15-oxatricyclo[10.2.1.0⁴,⁹]Pentadeca-5,10,13-trien-2-yl 3-(1-methyl-1H-imidazol-4-yl)prop-2-enoate is a very strong basic compound (based on its pKa).

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1533004201502102D          

 46 50  0  0  0  0            999 V2000
   -0.0000    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4849   -0.6674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2695   -0.9224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2695   -1.7474    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5551   -2.1599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1594   -1.7474    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5551   -2.9849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2695   -3.3974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2695   -4.2224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9370   -4.7073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6820   -5.4919    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1670   -6.1594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8570   -5.4919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6021   -4.7073    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0542   -0.6674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5391   -1.3349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7842    0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0542    1.4924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5391    2.1599    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5391    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5391   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2695    1.7474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4849    1.4924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2695    2.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5551    2.9849    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5551    3.8099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1594    4.2224    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1594    5.0474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5551    5.4599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5551    6.2849    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2695    5.0474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9840    5.4599    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2695    4.2224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9840    3.8099    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6985    4.2224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6985    5.0474    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4130    3.8099    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
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 15 13  1  4  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 21 22  2  0  0  0  0
 17 22  1  0  0  0  0
 11 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 28 29  2  0  0  0  0
 23 29  1  0  0  0  0
 26 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  4  0  0  0
  4 32  1  0  0  0  0
  9 32  1  0  0  0  0
 30 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 38 40  1  0  0  0  0
 40 41  1  0  0  0  0
 40 42  1  0  0  0  0
 35 42  1  0  0  0  0
 42 43  1  0  0  0  0
 43 44  1  0  0  0  0
 44 45  2  0  0  0  0
 44 46  1  0  0  0  0
M  END

     RDKit          3D

 92 96  0  0  0  0  0  0  0  0999 V2000
   -6.2672    4.6416   -0.2821 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3359    3.1842   -0.0171 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9095    2.7778    1.0172 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8022    2.2312   -0.8468 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8341    0.8534   -0.6540 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.4319    0.2497   -0.4845 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.1060    0.3777    0.8431 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0275    1.1031    1.1590 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6766    0.6482    0.7615 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4111   -0.4442    0.1044 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3794   -1.4752    0.4590 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.8431   -2.8380    0.0825 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.9947   -3.3505    0.8878 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7445   -3.4874    2.3391 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4475   -4.6925    0.3463 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3080   -3.8337    0.2714 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2406   -3.5242   -0.8782 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4761   -2.2441   -1.0629 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3994   -1.8456   -2.1944 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9141   -1.1473   -0.2380 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.9513   -0.7836    0.8045 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6040    0.5386    0.5933 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.7614    0.5930    1.4020 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0041    0.9440    0.8080 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9324    1.1730   -0.4061 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1840    0.9998    1.6351 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3864    1.2988    1.2628 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8551    1.6500   -0.0605 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1840    1.9687   -0.3825 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2276    2.2322   -1.6844 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.4235    2.6095   -2.4385 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0123    2.1022   -2.2143 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2094    1.7516   -1.2128 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6516    1.5909    1.1808 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.3952    2.8851    1.2107 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1843    1.1469    2.5205 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1345    1.2858    2.5941 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5783    1.6045    1.2148 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.0853    2.9028    1.1757 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5212    1.5864    0.4069 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5729   -1.1036   -0.7737 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7262   -1.6009   -0.1735 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9150   -1.2648   -1.0864 C   0  0  2  0  0  0  0  0  0  0  0  0
   -6.9449   -2.2666   -2.0457 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5197    0.0779   -1.7295 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.5683   -0.2763   -2.7035 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4941    5.1581    0.3039 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0470    4.8563   -1.3596 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2713    5.1039   -0.0981 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3725    0.6632    0.2969 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7245    0.7656   -1.1627 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2027    2.1665    0.8165 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9924    1.2454    2.2984 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9662   -0.6731   -0.7958 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1883   -1.5200    1.5662 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0814   -2.8535   -0.9998 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8577   -2.6453    0.7509 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1775   -4.4320    2.7608 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2546   -2.6694    2.9254 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6782   -3.4877    2.6312 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5133   -4.8584    0.6460 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4070   -4.7605   -0.7428 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8867   -5.5257    0.8555 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8376   -3.6595    1.2086 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0354   -4.8683    0.1094 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6775   -4.2897   -1.4963 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4905   -2.6895   -2.9205 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9329   -0.9923   -2.7328 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3738   -1.5166   -1.8103 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7364   -0.3021   -0.9469 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4811   -0.7588    1.8237 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7289   -1.5793    0.8753 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8062    0.7884   -0.4628 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0148    0.7524    2.7174 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1580    1.2830    2.0668 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0065    1.9912    0.3100 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0844    3.0545   -3.3922 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0999    1.7489   -2.5856 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9984    3.3688   -1.8289 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7750    2.2640   -3.2736 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2802    2.7320    1.8893 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8194    3.0569    0.2047 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8391    3.7316    1.6102 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7804    0.7613    3.3467 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8154    1.2028    3.4313 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3178    3.0821    0.2257 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6729   -2.7223   -0.0735 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8529   -1.2227    0.8453 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8433   -1.1510   -0.5222 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8748   -2.3658   -2.3725 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3963    0.5818   -2.1668 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5666    0.3548   -3.4673 H   0  0  0  0  0  0  0  0  0  0  0  0
 14 13  1  0
 13 15  1  0
 13 12  1  0
 12 16  1  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 18 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  2  0
 24 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  2  0
 29 30  1  0
 30 31  1  0
 30 32  1  0
 32 33  2  0
 22 34  1  0
 34 35  1  1
 34 40  1  0
 40 38  1  0
 38 39  1  1
 38 37  1  0
 37 36  2  0
 38  9  1  0
  9  8  1  0
  8  7  1  0
  7  6  1  0
  6 41  1  0
 41 42  1  0
 42 43  1  0
 43 44  1  0
 43 45  1  0
 45 46  1  0
 45  5  1  0
  5  4  1  0
  4  2  1  0
  2  1  1  0
  2  3  2  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 11 20  1  0
 33 28  1  0
 36 34  1  0
  5  6  1  0
 14 58  1  0
 14 59  1  0
 14 60  1  0
 13 57  1  0
 15 61  1  0
 15 62  1  0
 15 63  1  0
 12 56  1  6
 16 64  1  0
 16 65  1  0
 17 66  1  0
 19 67  1  0
 19 68  1  0
 19 69  1  0
 20 70  1  6
 21 71  1  0
 21 72  1  0
 22 73  1  6
 26 74  1  0
 27 75  1  0
 29 76  1  0
 31 77  1  0
 31 78  1  0
 31 79  1  0
 32 80  1  0
 35 81  1  0
 35 82  1  0
 35 83  1  0
 39 86  1  0
 37 85  1  0
 36 84  1  0
  8 52  1  0
  8 53  1  0
  6 51  1  6
 42 87  1  0
 42 88  1  0
 43 89  1  1
 44 90  1  0
 45 91  1  6
 46 92  1  0
  5 50  1  1
  1 47  1  0
  1 48  1  0
  1 49  1  0
 10 54  1  0
 11 55  1  1
M  END


  Mrv1533004201502102D          

 46 50  0  0  0  0            999 V2000
   -0.0000    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4849   -0.6674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2695   -0.9224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2695   -1.7474    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5551   -2.1599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1594   -1.7474    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5551   -2.9849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2695   -3.3974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2695   -4.2224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9370   -4.7073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6820   -5.4919    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1670   -6.1594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8570   -5.4919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6021   -4.7073    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0542   -0.6674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5391   -1.3349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7842    0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0542    1.4924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5391    2.1599    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5391    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5391   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2695    1.7474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4849    1.4924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2695    2.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5551    2.9849    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5551    3.8099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1594    4.2224    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1594    5.0474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5551    5.4599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5551    6.2849    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2695    5.0474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9840    5.4599    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2695    4.2224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9840    3.8099    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6985    4.2224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6985    5.0474    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4130    3.8099    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
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 15 13  1  4  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 21 22  2  0  0  0  0
 17 22  1  0  0  0  0
 11 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 28 29  2  0  0  0  0
 23 29  1  0  0  0  0
 26 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  4  0  0  0
  4 32  1  0  0  0  0
  9 32  1  0  0  0  0
 30 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 38 40  1  0  0  0  0
 40 41  1  0  0  0  0
 40 42  1  0  0  0  0
 35 42  1  0  0  0  0
 42 43  1  0  0  0  0
 43 44  1  0  0  0  0
 44 45  2  0  0  0  0
 44 46  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0306002

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC(C)C1CC=C(C)C2CC(OC(=O)C=CC3=CN(C)C=N3)C3(C)OC(O)(C=C3)C(COC3OCC(O)C(O)C3OC(C)=O)=CC12

> <INCHI_IDENTIFIER>
InChI=1S/C34H46N2O10/c1-19(2)24-9-7-20(3)25-14-28(45-29(39)10-8-23-15-36(6)18-35-23)33(5)11-12-34(41,46-33)22(13-26(24)25)16-42-32-31(44-21(4)37)30(40)27(38)17-43-32/h7-8,10-13,15,18-19,24-28,30-32,38,40-41H,9,14,16-17H2,1-6H3

> <INCHI_KEY>
WRPLJTYNAMMOEE-UHFFFAOYSA-N

> <FORMULA>
C34H46N2O10

> <MOLECULAR_WEIGHT>
642.746

> <EXACT_MASS>
642.315245689

> <JCHEM_ACCEPTOR_COUNT>
9

> <JCHEM_ATOM_COUNT>
92

> <JCHEM_AVERAGE_POLARIZABILITY>
69.01968862805955

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
11-({[3-(acetyloxy)-4,5-dihydroxyoxan-2-yl]oxy}methyl)-12-hydroxy-1,5-dimethyl-8-(propan-2-yl)-15-oxatricyclo[10.2.1.0⁴,⁹]pentadeca-5,10,13-trien-2-yl 3-(1-methyl-1H-imidazol-4-yl)prop-2-enoate

> <ALOGPS_LOGP>
3.07

> <JCHEM_LOGP>
3.1292900376666637

> <ALOGPS_LOGS>
-4.48

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
12.819537215562146

> <JCHEM_PKA_STRONGEST_ACIDIC>
11.01581013243608

> <JCHEM_PKA_STRONGEST_BASIC>
5.946664805003688

> <JCHEM_POLAR_SURFACE_AREA>
158.8

> <JCHEM_REFRACTIVITY>
169.30200000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
10

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.14e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
11-({[3-(acetyloxy)-4,5-dihydroxyoxan-2-yl]oxy}methyl)-12-hydroxy-8-isopropyl-1,5-dimethyl-15-oxatricyclo[10.2.1.0⁴,⁹]pentadeca-5,10,13-trien-2-yl 3-(1-methylimidazol-4-yl)prop-2-enoate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 20-APR-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   20-APR-15         0                                  
HETATM    1  C   UNK     0      -0.000   4.620   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -1.334   3.850   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -2.667   4.620   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -1.334   2.310   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -2.667   1.540   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -2.667  -0.000   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -1.334  -0.770   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -1.334  -2.310   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       0.905  -1.246   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       2.370  -1.722   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0       2.370  -3.262   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0       1.036  -4.032   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0      -0.298  -3.262   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0       1.036  -5.572   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       2.370  -6.342   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       2.370  -7.882   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       3.616  -8.787   0.000  0.00  0.00           C+0
HETATM   19  N   UNK     0       3.140 -10.252   0.000  0.00  0.00           N+0
HETATM   20  C   UNK     0       4.045 -11.497   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       1.600 -10.252   0.000  0.00  0.00           C+0
HETATM   22  N   UNK     0       1.124  -8.787   0.000  0.00  0.00           N+0
HETATM   23  C   UNK     0       3.834  -1.246   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       4.740  -2.492   0.000  0.00  0.00           C+0
HETATM   25  O   UNK     0       3.330   0.770   0.000  0.00  0.00           O+0
HETATM   26  C   UNK     0       3.834   2.786   0.000  0.00  0.00           C+0
HETATM   27  O   UNK     0       4.740   4.032   0.000  0.00  0.00           O+0
HETATM   28  C   UNK     0       4.740   1.540   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       4.740  -0.000   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       2.370   3.262   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       0.905   2.786   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      -0.000   1.540   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0       2.370   4.802   0.000  0.00  0.00           C+0
HETATM   34  O   UNK     0       1.036   5.572   0.000  0.00  0.00           O+0
HETATM   35  C   UNK     0       1.036   7.112   0.000  0.00  0.00           C+0
HETATM   36  O   UNK     0      -0.298   7.882   0.000  0.00  0.00           O+0
HETATM   37  C   UNK     0      -0.298   9.422   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0       1.036  10.192   0.000  0.00  0.00           C+0
HETATM   39  O   UNK     0       1.036  11.732   0.000  0.00  0.00           O+0
HETATM   40  C   UNK     0       2.370   9.422   0.000  0.00  0.00           C+0
HETATM   41  O   UNK     0       3.703  10.192   0.000  0.00  0.00           O+0
HETATM   42  C   UNK     0       2.370   7.882   0.000  0.00  0.00           C+0
HETATM   43  O   UNK     0       3.703   7.112   0.000  0.00  0.00           O+0
HETATM   44  C   UNK     0       5.037   7.882   0.000  0.00  0.00           C+0
HETATM   45  O   UNK     0       5.037   9.422   0.000  0.00  0.00           O+0
HETATM   46  C   UNK     0       6.371   7.112   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3    4                                                  
CONECT    3    2                                                            
CONECT    4    2    5   32                                                  
CONECT    5    4    6                                                       
CONECT    6    5    7                                                       
CONECT    7    6    8    9                                                  
CONECT    8    7                                                            
CONECT    9    7   10   32                                                  
CONECT   10    9   11                                                       
CONECT   11   10   12   23                                                  
CONECT   12   11   13                                                       
CONECT   13   12   14   15                                                  
CONECT   14   13                                                            
CONECT   15   13   16                                                       
CONECT   16   15   17                                                       
CONECT   17   16   18   22                                                  
CONECT   18   17   19                                                       
CONECT   19   18   20   21                                                  
CONECT   20   19                                                            
CONECT   21   19   22                                                       
CONECT   22   21   17                                                       
CONECT   23   11   24   25   29                                             
CONECT   24   23                                                            
CONECT   25   23   26                                                       
CONECT   26   25   27   28   30                                             
CONECT   27   26                                                            
CONECT   28   26   29                                                       
CONECT   29   28   23                                                       
CONECT   30   26   31   33                                                  
CONECT   31   30   32                                                       
CONECT   32   31    4    9                                                  
CONECT   33   30   34                                                       
CONECT   34   33   35                                                       
CONECT   35   34   36   42                                                  
CONECT   36   35   37                                                       
CONECT   37   36   38                                                       
CONECT   38   37   39   40                                                  
CONECT   39   38                                                            
CONECT   40   38   41   42                                                  
CONECT   41   40                                                            
CONECT   42   40   35   43                                                  
CONECT   43   42   44                                                       
CONECT   44   43   45   46                                                  
CONECT   45   44                                                            
CONECT   46   44                                                            
MASTER        0    0    0    0    0    0    0    0   46    0  100    0
END

View in JSmol

Synonyms

Value	Source
11-({[3-(acetyloxy)-4,5-dihydroxyoxan-2-yl]oxy}methyl)-12-hydroxy-1,5-dimethyl-8-(propan-2-yl)-15-oxatricyclo[10.2.1.0,]pentadeca-5,10,13-trien-2-yl 3-(1-methyl-1H-imidazol-4-yl)prop-2-enoic acid	Generator
11-({[3-(acetyloxy)-4,5-dihydroxyoxan-2-yl]oxy}methyl)-12-hydroxy-1,5-dimethyl-8-(propan-2-yl)-15-oxatricyclo[10.2.1.0⁴,⁹]pentadeca-5,10,13-trien-2-yl 3-(1-methyl-1H-imidazol-4-yl)prop-2-enoic acid	Generator

Chemical Formula

C₃₄H₄₆N₂O₁₀

Average Mass

642.7460 Da

Monoisotopic Mass

642.31525 Da

IUPAC Name

11-({[3-(acetyloxy)-4,5-dihydroxyoxan-2-yl]oxy}methyl)-12-hydroxy-1,5-dimethyl-8-(propan-2-yl)-15-oxatricyclo[10.2.1.0⁴,⁹]pentadeca-5,10,13-trien-2-yl 3-(1-methyl-1H-imidazol-4-yl)prop-2-enoate

Traditional Name

11-({[3-(acetyloxy)-4,5-dihydroxyoxan-2-yl]oxy}methyl)-12-hydroxy-8-isopropyl-1,5-dimethyl-15-oxatricyclo[10.2.1.0⁴,⁹]pentadeca-5,10,13-trien-2-yl 3-(1-methylimidazol-4-yl)prop-2-enoate

CAS Registry Number

Not Available

SMILES

CC(C)C1CC=C(C)C2CC(OC(=O)C=CC3=CN(C)C=N3)C3(C)OC(O)(C=C3)C(COC3OCC(O)C(O)C3OC(C)=O)=CC12

InChI Identifier

InChI=1S/C34H46N2O10/c1-19(2)24-9-7-20(3)25-14-28(45-29(39)10-8-23-15-36(6)18-35-23)33(5)11-12-34(41,46-33)22(13-26(24)25)16-42-32-31(44-21(4)37)30(40)27(38)17-43-32/h7-8,10-13,15,18-19,24-28,30-32,38,40-41H,9,14,16-17H2,1-6H3

InChI Key

WRPLJTYNAMMOEE-UHFFFAOYSA-N

Experimental Spectra

Not Available

Predicted Spectra

Spectrum Type	Description	Depositor ID	Depositor Organization	Depositor	Deposition Date	View
1D NMR	¹³C NMR Spectrum (1D, 25 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 252 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 101 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 126 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 176 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 201 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 226 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Erythropodium caribaeorum	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as sesquiterpenoids. These are terpenes with three consecutive isoprene units.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Sesquiterpenoids

Direct Parent

Sesquiterpenoids

Alternative Parents

Substituents

Sesquiterpenoid
Glycosyl compound
O-glycosyl compound
Imidazolyl carboxylic acid derivative
Fatty acid ester
Dicarboxylic acid or derivatives
Monosaccharide
N-substituted imidazole
Oxane
Fatty acyl
Alpha,beta-unsaturated carboxylic ester
Enoate ester
Heteroaromatic compound
Azole
Dihydrofuran
Imidazole
Secondary alcohol
Carboxylic acid ester
1,2-diol
Hemiacetal
Oxacycle
Azacycle
Organoheterocyclic compound
Carboxylic acid derivative
Acetal
Organic oxide
Organonitrogen compound
Organooxygen compound
Carbonyl group
Organic nitrogen compound
Organic oxygen compound
Alcohol
Hydrocarbon derivative
Organopnictogen compound
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

Not Available

Physical Properties

State

Not Available

Experimental Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Predicted Properties

Property	Value	Source
logP	3.07	ALOGPS
logP	3.13	ChemAxon
logS	-4.5	ALOGPS
pKa (Strongest Acidic)	11.02	ChemAxon
pKa (Strongest Basic)	5.95	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	9	ChemAxon
Hydrogen Donor Count	3	ChemAxon
Polar Surface Area	158.8 Å²	ChemAxon
Rotatable Bond Count	10	ChemAxon
Refractivity	169.3 m³·mol⁻¹	ChemAxon
Polarizability	69.02 Å³	ChemAxon
Number of Rings	5	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	Yes	ChemAxon

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

Not Available

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 11-({[3-(acetyloxy)-4,5-dihydroxyoxan-2-yl]oxy}methyl)-12-hydroxy-8-isopropyl-1,5-dimethyl-15-oxatricyclo[10.2.1.0⁴,⁹]pentadeca-5,10,13-trien-2-yl 3-(1-methylimidazol-4-yl)prop-2-enoate (NP0306002)

MOL for NP0306002 (11-({[3-(acetyloxy)-4,5-dihydroxyoxan-2-yl]oxy}methyl)-12-hydroxy-8-isopropyl-1,5-dimethyl-15-oxatricyclo[10.2.1.0⁴,⁹]pentadeca-5,10,13-trien-2-yl 3-(1-methylimidazol-4-yl)prop-2-enoate)

3D MOL for NP0306002 (11-({[3-(acetyloxy)-4,5-dihydroxyoxan-2-yl]oxy}methyl)-12-hydroxy-8-isopropyl-1,5-dimethyl-15-oxatricyclo[10.2.1.0⁴,⁹]pentadeca-5,10,13-trien-2-yl 3-(1-methylimidazol-4-yl)prop-2-enoate)

3D SDF for NP0306002 (11-({[3-(acetyloxy)-4,5-dihydroxyoxan-2-yl]oxy}methyl)-12-hydroxy-8-isopropyl-1,5-dimethyl-15-oxatricyclo[10.2.1.0⁴,⁹]pentadeca-5,10,13-trien-2-yl 3-(1-methylimidazol-4-yl)prop-2-enoate)

3D-SDF for NP0306002 (11-({[3-(acetyloxy)-4,5-dihydroxyoxan-2-yl]oxy}methyl)-12-hydroxy-8-isopropyl-1,5-dimethyl-15-oxatricyclo[10.2.1.0⁴,⁹]pentadeca-5,10,13-trien-2-yl 3-(1-methylimidazol-4-yl)prop-2-enoate)

PDB for NP0306002 (11-({[3-(acetyloxy)-4,5-dihydroxyoxan-2-yl]oxy}methyl)-12-hydroxy-8-isopropyl-1,5-dimethyl-15-oxatricyclo[10.2.1.0⁴,⁹]pentadeca-5,10,13-trien-2-yl 3-(1-methylimidazol-4-yl)prop-2-enoate)

3D PDB for NP0306002 (11-({[3-(acetyloxy)-4,5-dihydroxyoxan-2-yl]oxy}methyl)-12-hydroxy-8-isopropyl-1,5-dimethyl-15-oxatricyclo[10.2.1.0⁴,⁹]pentadeca-5,10,13-trien-2-yl 3-(1-methylimidazol-4-yl)prop-2-enoate)

SMILES for NP0306002 (11-({[3-(acetyloxy)-4,5-dihydroxyoxan-2-yl]oxy}methyl)-12-hydroxy-8-isopropyl-1,5-dimethyl-15-oxatricyclo[10.2.1.0⁴,⁹]pentadeca-5,10,13-trien-2-yl 3-(1-methylimidazol-4-yl)prop-2-enoate)

INCHI for NP0306002 (11-({[3-(acetyloxy)-4,5-dihydroxyoxan-2-yl]oxy}methyl)-12-hydroxy-8-isopropyl-1,5-dimethyl-15-oxatricyclo[10.2.1.0⁴,⁹]pentadeca-5,10,13-trien-2-yl 3-(1-methylimidazol-4-yl)prop-2-enoate)

Structure for NP0306002 (11-({[3-(acetyloxy)-4,5-dihydroxyoxan-2-yl]oxy}methyl)-12-hydroxy-8-isopropyl-1,5-dimethyl-15-oxatricyclo[10.2.1.0⁴,⁹]pentadeca-5,10,13-trien-2-yl 3-(1-methylimidazol-4-yl)prop-2-enoate)

3D Structure for NP0306002 (11-({[3-(acetyloxy)-4,5-dihydroxyoxan-2-yl]oxy}methyl)-12-hydroxy-8-isopropyl-1,5-dimethyl-15-oxatricyclo[10.2.1.0⁴,⁹]pentadeca-5,10,13-trien-2-yl 3-(1-methylimidazol-4-yl)prop-2-enoate)