NP-MRD: Showing NP-Card for methyl 4,12-bis(acetyloxy)-7-hydroxy-6-{2-hydroxy-11-methyl-5,7,10-trioxatetracyclo[6.3.1.0²,⁶.0⁹,¹¹]dodec-3-en-9-yl}-6-methyl-14-[(2-methylbut-2-enoyl)oxy]-3,9-dioxatetracyclo[6.6.1.0¹,⁵.0¹¹,¹⁵]pentadecane-11-carboxylate (NP0319116)

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Record Information

Version

1.0

Created at

2022-09-11 19:59:26 UTC

Updated at

2022-09-11 19:59:26 UTC

NP-MRD ID

NP0319116

Secondary Accession Numbers

None

Natural Product Identification

Common Name

methyl 4,12-bis(acetyloxy)-7-hydroxy-6-{2-hydroxy-11-methyl-5,7,10-trioxatetracyclo[6.3.1.0²,⁶.0⁹,¹¹]dodec-3-en-9-yl}-6-methyl-14-[(2-methylbut-2-enoyl)oxy]-3,9-dioxatetracyclo[6.6.1.0¹,⁵.0¹¹,¹⁵]pentadecane-11-carboxylate

Description

Methyl 4,12-bis(acetyloxy)-7-hydroxy-6-{2-hydroxy-11-methyl-5,7,10-trioxatetracyclo[6.3.1.0²,⁶.0⁹,¹¹]Dodec-3-en-9-yl}-6-methyl-14-[(2-methylbut-2-enoyl)oxy]-3,9-dioxatetracyclo[6.6.1.0¹,⁵.0¹¹,¹⁵]Pentadecane-11-carboxylate belongs to the class of organic compounds known as terpene lactones. These are prenol lipids containing a lactone ring. Methyl 4,12-bis(acetyloxy)-7-hydroxy-6-{2-hydroxy-11-methyl-5,7,10-trioxatetracyclo[6.3.1.0²,⁶.0⁹,¹¹]Dodec-3-en-9-yl}-6-methyl-14-[(2-methylbut-2-enoyl)oxy]-3,9-dioxatetracyclo[6.6.1.0¹,⁵.0¹¹,¹⁵]Pentadecane-11-carboxylate is an extremely weak basic (essentially neutral) compound (based on its pKa).

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1533004251510242D          

 50 57  0  0  0  0            999 V2000
    0.0195   -1.0430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2471   -1.8360    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0476   -2.0354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2752   -2.8283    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6206   -1.4418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7348   -0.9900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8347   -0.1711    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6444   -0.0130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0687    0.6945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6681    1.4157    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8936    0.6808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6734    0.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2941   -0.0405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0981   -0.2254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7203    0.3163    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5006    0.0484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1228    0.5901    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6587   -0.7613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1707   -1.0472    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4954   -1.2891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8698   -0.7480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2704   -1.4692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8460   -2.1767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0211   -2.1630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5968   -2.8705    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9974   -3.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8222   -3.6055    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5730   -4.2993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0952   -1.4830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4958   -2.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3207   -2.2179    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0715   -2.9117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4720   -3.6329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0477   -4.3404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2466   -2.8980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0449   -0.7343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7639    1.4955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9611    1.3053    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1977    2.0956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3919    2.2725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3139    2.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1185    2.3972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5860    1.5640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0451    2.2494    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7954    3.0357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3141    3.6773    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8642    4.3688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0675    4.1547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0249    3.3308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3196    3.7586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 14 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 13 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
  5 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 22 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 30 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  4  0  0  0
 32 35  1  0  0  0  0
 21 36  1  0  0  0  0
  5 36  1  0  0  0  0
  8 36  1  0  0  0  0
 11 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 37 39  1  0  0  0  0
 39 40  1  0  0  0  0
 39 41  1  0  0  0  0
 41 42  1  0  0  0  0
 42 43  1  0  0  0  0
 37 43  1  0  0  0  0
 43 44  1  0  0  0  0
 44 45  1  0  0  0  0
 45 46  1  0  0  0  0
 46 47  1  0  0  0  0
 47 48  2  0  0  0  0
 48 49  1  0  0  0  0
 41 49  1  0  0  0  0
 45 49  1  0  0  0  0
 49 50  1  0  0  0  0
M  END

     RDKit          3D

 94101  0  0  0  0  0  0  0  0999 V2000
   -1.8416    5.7028   -0.5972 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2936    5.0786    0.6638 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4412    3.7920    0.8136 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9044    3.2656    2.1333 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1641    2.8758   -0.2732 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7765    3.3359   -1.3730 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3209    1.4846   -0.1195 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0239    0.6825   -1.2408 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.2288   -0.1678   -1.6283 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2855   -1.5653   -1.1455 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.6866   -1.8730   -0.9668 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3387   -2.8971   -1.5885 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7545   -3.2374   -1.4315 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6532   -3.6284   -2.3817 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6208   -1.8364    0.1227 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.6073   -1.5807    1.2311 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4396   -0.5540    1.9318 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6445   -2.4203    1.4754 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6017   -2.2256    2.5066 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0030   -3.1461    0.4254 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1130   -2.7391    1.4805 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3181   -1.8738    0.7793 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.4839   -0.8775    1.5680 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.4120   -1.4173    2.4095 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0348    0.2423    0.6587 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.5608    1.5394    1.3567 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5175    0.2378    0.8173 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.7180    0.3929    2.3166 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4531    1.1221    1.3555 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.5597    2.5894    1.3536 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8240    0.4712    1.4658 C   0  0  1  0  0  0  0  0  0  0  0  0
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    4.1530   -0.4227   -0.8072 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4644   -0.2289   -0.7339 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.8618    0.5403   -1.8505 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.4620    0.2700   -0.6933 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2284   -0.1705   -1.8772 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.4016   -1.5055   -2.1610 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3812   -1.9356   -3.0083 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5535   -3.4096   -3.2944 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1740   -1.1407   -3.5822 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1496    0.0425   -2.8505 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7151   -0.9401   -2.2849 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8896   -0.3181   -0.9495 C   0  0  2  0  0  0  0  0  0  0  0  0
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   -1.7472    6.8217   -0.4630 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8078    5.3626   -0.8190 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5106    5.7324    1.4989 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6390    2.4484    2.0250 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4272    4.0777    2.7113 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0257    2.9942    2.7511 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.1135    0.3981   -1.1996 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4402   -0.0993   -2.7372 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9614   -2.3538   -1.8748 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9279   -4.3365   -1.4950 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0890   -2.9454   -0.3994 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.0907   -3.2055    2.7178 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.3628   -1.4600    2.2219 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3361   -3.4660   -0.3872 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6845   -3.9175    0.7933 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2338   -2.4684    0.0794 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2993   -0.4579    2.2782 H   0  0  0  0  0  0  0  0  0  0  0  0
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    0.7316    2.4229    0.7598 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1732    1.6720    2.3079 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4298    1.4616    1.8215 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4469    2.9438    1.9648 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7827    2.9153    0.3030 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7616    3.2219    1.6919 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2637    0.6717    2.4807 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3209   -1.6197    1.0494 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0852   -1.3152    2.3381 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9289   -1.7907    0.0236 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1113   -1.1289   -0.7601 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1989    2.6534   -2.1899 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.7089   -0.2238    0.9455 H   0  0  0  0  0  0  0  0  0  0  0  0
 19 18  1  0
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 49 48  1  6
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 41 25  1  0
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 50 15  1  0
 41 49  1  0
 29 27  1  0
 39 31  1  0
 10 15  1  0
 23 22  1  0
 33 27  1  0
 39 35  1  0
 19 65  1  0
 19 66  1  0
 19 67  1  0
 20 68  1  0
 20 69  1  0
 22 70  1  6
 50 94  1  1
 48 92  1  0
 48 93  1  0
 42 88  1  6
 45 89  1  0
 45 90  1  0
 45 91  1  0
 41 87  1  6
 26 73  1  0
 26 74  1  0
 26 75  1  0
 23 71  1  1
 24 72  1  0
 30 76  1  0
 30 77  1  0
 30 78  1  0
 31 79  1  1
 32 80  1  0
 32 81  1  0
 33 82  1  6
 35 83  1  1
 37 84  1  0
 38 85  1  0
 40 86  1  0
  8 58  1  6
  9 59  1  0
  9 60  1  0
 10 61  1  6
 13 62  1  0
 13 63  1  0
 13 64  1  0
  4 55  1  0
  4 56  1  0
  4 57  1  0
  2 54  1  0
  1 51  1  0
  1 52  1  0
  1 53  1  0
M  END


  Mrv1533004251510242D          

 50 57  0  0  0  0            999 V2000
    0.0195   -1.0430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2471   -1.8360    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0476   -2.0354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2752   -2.8283    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6206   -1.4418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7348   -0.9900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8347   -0.1711    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6444   -0.0130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0687    0.6945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6681    1.4157    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8936    0.6808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6734    0.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2941   -0.0405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0981   -0.2254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7203    0.3163    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5006    0.0484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1228    0.5901    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6587   -0.7613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1707   -1.0472    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4954   -1.2891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8698   -0.7480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2704   -1.4692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8460   -2.1767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0211   -2.1630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5968   -2.8705    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9974   -3.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8222   -3.6055    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5730   -4.2993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0952   -1.4830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4958   -2.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3207   -2.2179    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0715   -2.9117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4720   -3.6329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0477   -4.3404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2466   -2.8980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0449   -0.7343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7639    1.4955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9611    1.3053    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1977    2.0956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3919    2.2725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3139    2.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1185    2.3972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5860    1.5640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0451    2.2494    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7954    3.0357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3141    3.6773    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8642    4.3688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0675    4.1547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0249    3.3308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3196    3.7586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 14 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 13 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
  5 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 22 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 30 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  4  0  0  0
 32 35  1  0  0  0  0
 21 36  1  0  0  0  0
  5 36  1  0  0  0  0
  8 36  1  0  0  0  0
 11 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 37 39  1  0  0  0  0
 39 40  1  0  0  0  0
 39 41  1  0  0  0  0
 41 42  1  0  0  0  0
 42 43  1  0  0  0  0
 37 43  1  0  0  0  0
 43 44  1  0  0  0  0
 44 45  1  0  0  0  0
 45 46  1  0  0  0  0
 46 47  1  0  0  0  0
 47 48  2  0  0  0  0
 48 49  1  0  0  0  0
 41 49  1  0  0  0  0
 45 49  1  0  0  0  0
 49 50  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0319116

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC(=O)C12COC3C1C1(COC(OC(C)=O)C1C(C)(C3O)C13OC1(C)C1CC3OC3OC=CC13O)C(CC2OC(C)=O)OC(=O)C(C)=CC

> <INCHI_IDENTIFIER>
InChI=1S/C35H44O15/c1-8-15(2)26(39)48-19-12-20(46-16(3)36)33(28(40)42-7)14-44-22-23(33)32(19)13-45-27(47-17(4)37)24(32)30(5,25(22)38)35-21-11-18(31(35,6)50-35)34(41)9-10-43-29(34)49-21/h8-10,18-25,27,29,38,41H,11-14H2,1-7H3

> <INCHI_KEY>
MWDICIARBRXRQD-UHFFFAOYSA-N

> <FORMULA>
C35H44O15

> <MOLECULAR_WEIGHT>
704.722

> <EXACT_MASS>
704.268020717

> <JCHEM_ACCEPTOR_COUNT>
11

> <JCHEM_ATOM_COUNT>
94

> <JCHEM_AVERAGE_POLARIZABILITY>
70.10232470007634

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
methyl 4,12-bis(acetyloxy)-7-hydroxy-6-{2-hydroxy-11-methyl-5,7,10-trioxatetracyclo[6.3.1.0²,⁶.0⁹,¹¹]dodec-3-en-9-yl}-6-methyl-14-[(2-methylbut-2-enoyl)oxy]-3,9-dioxatetracyclo[6.6.1.0¹,⁵.0¹¹,¹⁵]pentadecane-11-carboxylate

> <ALOGPS_LOGP>
1.57

> <JCHEM_LOGP>
0.14640175500000102

> <ALOGPS_LOGS>
-3.21

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
8

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
13.654774497338117

> <JCHEM_PKA_STRONGEST_ACIDIC>
12.267002966737277

> <JCHEM_PKA_STRONGEST_BASIC>
-3.3955080547509615

> <JCHEM_POLAR_SURFACE_AREA>
195.10999999999999

> <JCHEM_REFRACTIVITY>
164.2789

> <JCHEM_ROTATABLE_BOND_COUNT>
10

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
4.39e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
methyl 4,12-bis(acetyloxy)-7-hydroxy-6-{2-hydroxy-11-methyl-5,7,10-trioxatetracyclo[6.3.1.0²,⁶.0⁹,¹¹]dodec-3-en-9-yl}-6-methyl-14-[(2-methylbut-2-enoyl)oxy]-3,9-dioxatetracyclo[6.6.1.0¹,⁵.0¹¹,¹⁵]pentadecane-11-carboxylate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 25-APR-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   25-APR-15         0                                  
HETATM    1  C   UNK     0       0.036  -1.947   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0       0.461  -3.427   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0       1.956  -3.799   0.000  0.00  0.00           C+0
HETATM    4  O   UNK     0       2.380  -5.280   0.000  0.00  0.00           O+0
HETATM    5  C   UNK     0       3.025  -2.691   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       1.372  -1.848   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0       1.558  -0.319   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0       3.069  -0.024   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       3.862   1.296   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0       3.114   2.643   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0       5.401   1.271   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       6.857   1.773   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       6.149  -0.076   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       7.650  -0.421   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0       8.811   0.590   0.000  0.00  0.00           O+0
HETATM   16  C   UNK     0      10.268   0.090   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0      11.429   1.102   0.000  0.00  0.00           O+0
HETATM   18  C   UNK     0      10.563  -1.421   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0       7.785  -1.955   0.000  0.00  0.00           O+0
HETATM   20  C   UNK     0       6.525  -2.406   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       5.357  -1.396   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       6.105  -2.743   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       5.313  -4.063   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       3.773  -4.038   0.000  0.00  0.00           C+0
HETATM   25  O   UNK     0       2.981  -5.358   0.000  0.00  0.00           O+0
HETATM   26  C   UNK     0       3.728  -6.705   0.000  0.00  0.00           C+0
HETATM   27  O   UNK     0       5.268  -6.730   0.000  0.00  0.00           O+0
HETATM   28  C   UNK     0       2.936  -8.025   0.000  0.00  0.00           C+0
HETATM   29  O   UNK     0       7.644  -2.768   0.000  0.00  0.00           O+0
HETATM   30  C   UNK     0       8.392  -4.114   0.000  0.00  0.00           C+0
HETATM   31  O   UNK     0       9.932  -4.140   0.000  0.00  0.00           O+0
HETATM   32  C   UNK     0       7.600  -5.435   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0       8.348  -6.781   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0       7.556  -8.102   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0       6.060  -5.410   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0       3.817  -1.371   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0       5.159   2.792   0.000  0.00  0.00           C+0
HETATM   38  O   UNK     0       3.661   2.436   0.000  0.00  0.00           O+0
HETATM   39  C   UNK     0       4.102   3.912   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0       2.598   4.242   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0       4.319   5.436   0.000  0.00  0.00           C+0
HETATM   42  C   UNK     0       5.821   4.475   0.000  0.00  0.00           C+0
HETATM   43  C   UNK     0       6.694   2.919   0.000  0.00  0.00           C+0
HETATM   44  O   UNK     0       7.551   4.199   0.000  0.00  0.00           O+0
HETATM   45  C   UNK     0       7.085   5.667   0.000  0.00  0.00           C+0
HETATM   46  O   UNK     0       8.053   6.864   0.000  0.00  0.00           O+0
HETATM   47  C   UNK     0       7.213   8.155   0.000  0.00  0.00           C+0
HETATM   48  C   UNK     0       5.726   7.755   0.000  0.00  0.00           C+0
HETATM   49  C   UNK     0       5.647   6.217   0.000  0.00  0.00           C+0
HETATM   50  O   UNK     0       4.330   7.016   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4    5                                                  
CONECT    4    3                                                            
CONECT    5    3    6   24   36                                             
CONECT    6    5    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9   36                                                  
CONECT    9    8   10   11                                                  
CONECT   10    9                                                            
CONECT   11    9   12   13   37                                             
CONECT   12   11                                                            
CONECT   13   11   14   21                                                  
CONECT   14   13   15   19                                                  
CONECT   15   14   16                                                       
CONECT   16   15   17   18                                                  
CONECT   17   16                                                            
CONECT   18   16                                                            
CONECT   19   14   20                                                       
CONECT   20   19   21                                                       
CONECT   21   20   13   22   36                                             
CONECT   22   21   23   29                                                  
CONECT   23   22   24                                                       
CONECT   24   23    5   25                                                  
CONECT   25   24   26                                                       
CONECT   26   25   27   28                                                  
CONECT   27   26                                                            
CONECT   28   26                                                            
CONECT   29   22   30                                                       
CONECT   30   29   31   32                                                  
CONECT   31   30                                                            
CONECT   32   30   33   35                                                  
CONECT   33   32   34                                                       
CONECT   34   33                                                            
CONECT   35   32                                                            
CONECT   36   21    5    8                                                  
CONECT   37   11   38   39   43                                             
CONECT   38   37   39                                                       
CONECT   39   38   37   40   41                                             
CONECT   40   39                                                            
CONECT   41   39   42   49                                                  
CONECT   42   41   43                                                       
CONECT   43   42   37   44                                                  
CONECT   44   43   45                                                       
CONECT   45   44   46   49                                                  
CONECT   46   45   47                                                       
CONECT   47   46   48                                                       
CONECT   48   47   49                                                       
CONECT   49   48   41   45   50                                             
CONECT   50   49                                                            
MASTER        0    0    0    0    0    0    0    0   50    0  114    0
END

View in JSmol

Synonyms

Value	Source
Methyl 4,12-bis(acetyloxy)-7-hydroxy-6-{2-hydroxy-11-methyl-5,7,10-trioxatetracyclo[6.3.1.0,.0,]dodec-3-en-9-yl}-6-methyl-14-[(2-methylbut-2-enoyl)oxy]-3,9-dioxatetracyclo[6.6.1.0,.0,]pentadecane-11-carboxylic acid	Generator
Methyl 4,12-bis(acetyloxy)-7-hydroxy-6-{2-hydroxy-11-methyl-5,7,10-trioxatetracyclo[6.3.1.0²,⁶.0⁹,¹¹]dodec-3-en-9-yl}-6-methyl-14-[(2-methylbut-2-enoyl)oxy]-3,9-dioxatetracyclo[6.6.1.0¹,⁵.0¹¹,¹⁵]pentadecane-11-carboxylic acid	Generator

Chemical Formula

C₃₅H₄₄O₁₅

Average Mass

704.7220 Da

Monoisotopic Mass

704.26802 Da

IUPAC Name

Traditional Name

CAS Registry Number

Not Available

SMILES

COC(=O)C12COC3C1C1(COC(OC(C)=O)C1C(C)(C3O)C13OC1(C)C1CC3OC3OC=CC13O)C(CC2OC(C)=O)OC(=O)C(C)=CC

InChI Identifier

InChI=1S/C35H44O15/c1-8-15(2)26(39)48-19-12-20(46-16(3)36)33(28(40)42-7)14-44-22-23(33)32(19)13-45-27(47-17(4)37)24(32)30(5,25(22)38)35-21-11-18(31(35,6)50-35)34(41)9-10-43-29(34)49-21/h8-10,18-25,27,29,38,41H,11-14H2,1-7H3

InChI Key

MWDICIARBRXRQD-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

Not Available

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as terpene lactones. These are prenol lipids containing a lactone ring.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Terpene lactones

Direct Parent

Terpene lactones

Alternative Parents

Substituents

Terpene lactone
Disaccharide
Glycosyl compound
O-glycosyl compound
Bicyclic monoterpenoid
11-noriridane monoterpenoid
Monoterpenoid
2-furanone
Cyclopentanol
Oxane
Cyclic alcohol
Dihydrofuran
Alpha,beta-unsaturated carboxylic ester
Enoate ester
Carboxylic acid ester
Cyclic ketone
Secondary alcohol
Ketone
Lactone
Ether
Organoheterocyclic compound
Dialkyl ether
Oxacycle
Acetal
Carboxylic acid derivative
Monocarboxylic acid or derivatives
Polyol
Primary alcohol
Alcohol
Hydrocarbon derivative
Carbonyl group
Organic oxygen compound
Organic oxide
Organooxygen compound
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
logP	1.57	ALOGPS
logP	0.15	ChemAxon
logS	-3.2	ALOGPS
pKa (Strongest Acidic)	12.27	ChemAxon
pKa (Strongest Basic)	-3.4	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	11	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	195.11 Å²	ChemAxon
Rotatable Bond Count	10	ChemAxon
Refractivity	164.28 m³·mol⁻¹	ChemAxon
Polarizability	70.1 Å³	ChemAxon
Number of Rings	8	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	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

75069390

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for methyl 4,12-bis(acetyloxy)-7-hydroxy-6-{2-hydroxy-11-methyl-5,7,10-trioxatetracyclo[6.3.1.0²,⁶.0⁹,¹¹]dodec-3-en-9-yl}-6-methyl-14-[(2-methylbut-2-enoyl)oxy]-3,9-dioxatetracyclo[6.6.1.0¹,⁵.0¹¹,¹⁵]pentadecane-11-carboxylate (NP0319116)

MOL for NP0319116 (methyl 4,12-bis(acetyloxy)-7-hydroxy-6-{2-hydroxy-11-methyl-5,7,10-trioxatetracyclo[6.3.1.0²,⁶.0⁹,¹¹]dodec-3-en-9-yl}-6-methyl-14-[(2-methylbut-2-enoyl)oxy]-3,9-dioxatetracyclo[6.6.1.0¹,⁵.0¹¹,¹⁵]pentadecane-11-carboxylate)

3D MOL for NP0319116 (methyl 4,12-bis(acetyloxy)-7-hydroxy-6-{2-hydroxy-11-methyl-5,7,10-trioxatetracyclo[6.3.1.0²,⁶.0⁹,¹¹]dodec-3-en-9-yl}-6-methyl-14-[(2-methylbut-2-enoyl)oxy]-3,9-dioxatetracyclo[6.6.1.0¹,⁵.0¹¹,¹⁵]pentadecane-11-carboxylate)

3D SDF for NP0319116 (methyl 4,12-bis(acetyloxy)-7-hydroxy-6-{2-hydroxy-11-methyl-5,7,10-trioxatetracyclo[6.3.1.0²,⁶.0⁹,¹¹]dodec-3-en-9-yl}-6-methyl-14-[(2-methylbut-2-enoyl)oxy]-3,9-dioxatetracyclo[6.6.1.0¹,⁵.0¹¹,¹⁵]pentadecane-11-carboxylate)

3D-SDF for NP0319116 (methyl 4,12-bis(acetyloxy)-7-hydroxy-6-{2-hydroxy-11-methyl-5,7,10-trioxatetracyclo[6.3.1.0²,⁶.0⁹,¹¹]dodec-3-en-9-yl}-6-methyl-14-[(2-methylbut-2-enoyl)oxy]-3,9-dioxatetracyclo[6.6.1.0¹,⁵.0¹¹,¹⁵]pentadecane-11-carboxylate)

PDB for NP0319116 (methyl 4,12-bis(acetyloxy)-7-hydroxy-6-{2-hydroxy-11-methyl-5,7,10-trioxatetracyclo[6.3.1.0²,⁶.0⁹,¹¹]dodec-3-en-9-yl}-6-methyl-14-[(2-methylbut-2-enoyl)oxy]-3,9-dioxatetracyclo[6.6.1.0¹,⁵.0¹¹,¹⁵]pentadecane-11-carboxylate)

3D PDB for NP0319116 (methyl 4,12-bis(acetyloxy)-7-hydroxy-6-{2-hydroxy-11-methyl-5,7,10-trioxatetracyclo[6.3.1.0²,⁶.0⁹,¹¹]dodec-3-en-9-yl}-6-methyl-14-[(2-methylbut-2-enoyl)oxy]-3,9-dioxatetracyclo[6.6.1.0¹,⁵.0¹¹,¹⁵]pentadecane-11-carboxylate)

SMILES for NP0319116 (methyl 4,12-bis(acetyloxy)-7-hydroxy-6-{2-hydroxy-11-methyl-5,7,10-trioxatetracyclo[6.3.1.0²,⁶.0⁹,¹¹]dodec-3-en-9-yl}-6-methyl-14-[(2-methylbut-2-enoyl)oxy]-3,9-dioxatetracyclo[6.6.1.0¹,⁵.0¹¹,¹⁵]pentadecane-11-carboxylate)

INCHI for NP0319116 (methyl 4,12-bis(acetyloxy)-7-hydroxy-6-{2-hydroxy-11-methyl-5,7,10-trioxatetracyclo[6.3.1.0²,⁶.0⁹,¹¹]dodec-3-en-9-yl}-6-methyl-14-[(2-methylbut-2-enoyl)oxy]-3,9-dioxatetracyclo[6.6.1.0¹,⁵.0¹¹,¹⁵]pentadecane-11-carboxylate)

Structure for NP0319116 (methyl 4,12-bis(acetyloxy)-7-hydroxy-6-{2-hydroxy-11-methyl-5,7,10-trioxatetracyclo[6.3.1.0²,⁶.0⁹,¹¹]dodec-3-en-9-yl}-6-methyl-14-[(2-methylbut-2-enoyl)oxy]-3,9-dioxatetracyclo[6.6.1.0¹,⁵.0¹¹,¹⁵]pentadecane-11-carboxylate)

3D Structure for NP0319116 (methyl 4,12-bis(acetyloxy)-7-hydroxy-6-{2-hydroxy-11-methyl-5,7,10-trioxatetracyclo[6.3.1.0²,⁶.0⁹,¹¹]dodec-3-en-9-yl}-6-methyl-14-[(2-methylbut-2-enoyl)oxy]-3,9-dioxatetracyclo[6.6.1.0¹,⁵.0¹¹,¹⁵]pentadecane-11-carboxylate)