NP-MRD: Showing NP-Card for methyl 9-[4-(methoxycarbonyl)-4,7,11b-trimethyl-1h,2h,3h,4ah,5h,6h,6ah,11h,11ah-phenanthro[3,2-b]furan-7-yl]-4,7,11b-trimethyl-1h,2h,3h,4ah,5h,6h-phenanthro[3,2-b]furan-4-carboxylate (NP0254433)

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Record Information

Version

2.0

Created at

2022-09-07 18:35:42 UTC

Updated at

2022-09-07 18:35:42 UTC

NP-MRD ID

NP0254433

Secondary Accession Numbers

None

Natural Product Identification

Common Name

methyl 9-[4-(methoxycarbonyl)-4,7,11b-trimethyl-1h,2h,3h,4ah,5h,6h,6ah,11h,11ah-phenanthro[3,2-b]furan-7-yl]-4,7,11b-trimethyl-1h,2h,3h,4ah,5h,6h-phenanthro[3,2-b]furan-4-carboxylate

Description

Methyl 14-[6-(methoxycarbonyl)-2,6,11-trimethyl-15-oxatetracyclo[8.7.0.0²,⁷.0¹²,¹⁶]Heptadeca-12(16),13-dien-11-yl]-2,6,11-trimethyl-15-oxatetracyclo[8.7.0.0²,⁷.0¹²,¹⁶]Heptadeca-1(17),10,12(16),13-tetraene-6-carboxylate belongs to the class of organic compounds known as diterpenoids. These are terpene compounds formed by four isoprene units. Methyl 14-[6-(methoxycarbonyl)-2,6,11-trimethyl-15-oxatetracyclo[8.7.0.0²,⁷.0¹²,¹⁶]Heptadeca-12(16),13-dien-11-yl]-2,6,11-trimethyl-15-oxatetracyclo[8.7.0.0²,⁷.0¹²,¹⁶]Heptadeca-1(17),10,12(16),13-tetraene-6-carboxylate is an extremely weak basic (essentially neutral) compound (based on its pKa).

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1533004161520202D          

 48 55  0  0  0  0            999 V2000
    6.3846   -4.9889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7539   -4.4571    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9780   -4.7374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8328   -5.5495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3473   -4.2056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9805   -3.6768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9330   -4.9191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1080   -4.9171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6973   -4.2016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1115   -3.4881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2865   -3.4861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7007   -2.7727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8757   -2.7707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4649   -2.0552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6584   -1.8818    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5741   -1.0611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3286   -0.7273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8792   -1.3418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7041   -1.3437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5628   -0.5309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1149   -2.0592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9399   -2.0612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3507   -2.7766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9365   -3.4901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4801   -1.0634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1629   -1.5264    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8142   -1.0201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6264   -1.1653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1582   -0.5346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8779    0.2414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4097    0.8721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2218    0.7268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5021   -0.0491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3142   -0.1943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3162    0.6307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5945   -0.9702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0627   -1.6009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2506   -1.4557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9703   -0.6798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4385   -1.3105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1271   -0.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4111    0.7216    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6558   -0.6863    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4686   -0.5449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0658    0.3866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7855    1.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5339   -0.2441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7094   -0.2709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  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
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 12 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
 17 18  1  0  0  0  0
 14 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
 12 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
 10 24  1  0  0  0  0
 19 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 34 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
 29 39  1  0  0  0  0
 33 39  1  0  0  0  0
 39 40  1  0  0  0  0
 34 41  1  0  0  0  0
 41 42  2  0  0  0  0
 41 43  1  0  0  0  0
 43 44  1  0  0  0  0
 30 45  1  0  0  0  0
 45 46  1  0  0  0  0
 45 47  2  0  0  0  0
 27 47  1  0  0  0  0
 47 48  1  0  0  0  0
 25 48  2  0  0  0  0
M  END

     RDKit          3D

102109  0  0  0  0  0  0  0  0999 V2000
   10.5120    2.1472    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3618    1.8260    0.7343 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3858    0.9500    0.2913 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5165    0.4089   -0.8127 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2266    0.6917    1.1499 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.8234    0.1745    2.4796 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4811    1.9503    1.5418 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1902    2.1298    0.8170 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3205    1.5067   -0.5783 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3573    0.0143   -0.4244 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.8449   -0.5493   -1.7581 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9758   -0.5022   -0.2482 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9988   -0.0077   -1.0819 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6616   -0.4208   -1.0051 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5899   -0.0836   -1.6891 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4668   -0.7165   -1.2860 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8778   -0.6377   -1.7793 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.8503    0.3971   -2.9159 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1724   -1.9262   -2.4235 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3638   -2.8439   -3.0717 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1766   -3.8709   -3.4835 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3950   -3.5761   -3.1001 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4259   -2.4451   -2.4773 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4961   -1.6058   -1.8232 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8875   -1.2195   -0.4663 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.8113   -0.2286   -0.6949 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.3588    1.1497   -1.0364 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4959    1.5096   -0.1085 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6224    0.4777   -0.1327 C   0  0  2  0  0  0  0  0  0  0  0  0
   -6.7330    1.0562    0.6657 C   0  0  2  0  0  0  0  0  0  0  0  0
   -7.9600    0.1709    0.7209 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2100    2.3025    0.0068 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8849    2.4999   -1.1821 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9983    3.2356    0.6678 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4006    4.3847   -0.0537 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3328    1.3049    2.1040 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4047    0.3252    2.6864 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5684   -0.5198    1.8303 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0164   -0.7816    0.4305 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.9625   -1.9618    0.4955 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0525   -1.5402   -0.2477 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3011   -1.3565   -0.0642 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2837   -1.8381    0.7546 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9237   -2.8506    1.7806 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6084   -1.4390    0.6895 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6263   -2.0323    1.6003 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6404   -0.9609    1.8938 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3089   -0.4077    0.6540 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.0080    1.2601   -0.4409 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2386    2.8712   -0.7841 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2529    2.5803    0.7169 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1071    0.2352    3.3041 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3382   -0.7702    2.3348 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6241    0.9305    2.7416 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2935    2.0178    2.6137 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1699    2.8015    1.2876 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0224    3.2266    0.6144 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3083    1.6939    1.2813 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2382    1.9014   -1.0789 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4828    1.8792   -1.1458 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9509   -0.9617   -2.2960 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5861   -1.3493   -1.5850 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3283    0.2197   -2.3947 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1741    0.7251   -1.8769 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5941    1.4013   -2.5645 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7188    0.3199   -3.5698 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.2926   -2.7989   -3.2428 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8387   -4.7579   -4.0291 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6148   -0.7246   -2.4695 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3743   -2.2388   -1.7346 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4466   -2.1443   -0.0617 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.0507    1.6109    0.9044 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8174    2.5225   -0.3876 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9424    0.3883   -1.1855 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3159   -0.1558   -0.2777 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8341    0.8222    1.0813 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8987   -0.6054    1.4864 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9561    4.0110   -0.9471 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9783    5.0902    0.5554 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4721    4.8704   -0.4720 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8454    2.3171    2.1126 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2491    1.4289    2.7294 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0303   -0.3728    3.3268 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.5273   -0.1102    1.7918 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.8070   -1.9246   -0.1799 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.6015   -3.7328    1.6940 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0263   -2.4522    2.8125 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0888   -2.8776    1.0121 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1997   -2.3807    2.5421 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1437   -0.1882    2.4959 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4533   -1.4795    2.4639 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9839   -1.2154    0.2795 H   0  0  0  0  0  0  0  0  0  0  0  0
 35 34  1  0
 34 32  1  0
 32 33  2  0
 30 32  1  6
 30 31  1  0
 30 36  1  0
 36 37  1  0
 37 38  1  0
 38 39  1  0
 39 40  1  1
 39 25  1  0
 25 24  1  0
 24 23  1  0
 23 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 19 17  1  0
 17 18  1  6
 17 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 17 16  1  0
 16 41  2  0
 41 42  1  0
 42 43  2  0
 43 44  1  0
 43 45  1  0
 45 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 12 10  1  0
 10 11  1  6
 10  9  1  0
  9  8  1  0
  8  7  1  0
  7  5  1  0
  5  6  1  0
  5 48  1  0
 48 47  1  0
 47 46  1  0
  5  3  1  6
  3  4  2  0
  3  2  1  0
  2  1  1  0
 29 30  1  0
 15 16  1  0
 48 10  1  0
 29 39  1  0
 14 42  1  0
 26 25  1  0
 46 45  1  0
 22 23  1  0
 35 82  1  0
 35 83  1  0
 35 84  1  0
 31 79  1  0
 31 80  1  0
 31 81  1  0
 36 85  1  0
 36 86  1  0
 37 87  1  0
 37 88  1  0
 38 89  1  0
 38 90  1  0
 40 91  1  0
 40 92  1  0
 40 93  1  0
 25 72  1  1
 24 70  1  0
 24 71  1  0
 20 68  1  0
 21 69  1  0
 18 65  1  0
 18 66  1  0
 18 67  1  0
 26 73  1  1
 27 74  1  0
 27 75  1  0
 28 76  1  0
 28 77  1  0
 29 78  1  6
 41 94  1  0
 44 95  1  0
 44 96  1  0
 44 97  1  0
 13 64  1  0
 11 61  1  0
 11 62  1  0
 11 63  1  0
  9 59  1  0
  9 60  1  0
  8 57  1  0
  8 58  1  0
  7 55  1  0
  7 56  1  0
  6 52  1  0
  6 53  1  0
  6 54  1  0
 48102  1  6
 47100  1  0
 47101  1  0
 46 98  1  0
 46 99  1  0
  1 49  1  0
  1 50  1  0
  1 51  1  0
M  END


  Mrv1533004161520202D          

 48 55  0  0  0  0            999 V2000
    6.3846   -4.9889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7539   -4.4571    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9780   -4.7374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8328   -5.5495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3473   -4.2056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9805   -3.6768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9330   -4.9191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1080   -4.9171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6973   -4.2016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1115   -3.4881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2865   -3.4861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7007   -2.7727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8757   -2.7707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4649   -2.0552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6584   -1.8818    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5741   -1.0611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3286   -0.7273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8792   -1.3418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7041   -1.3437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5628   -0.5309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1149   -2.0592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9399   -2.0612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3507   -2.7766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9365   -3.4901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4801   -1.0634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1629   -1.5264    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8142   -1.0201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6264   -1.1653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1582   -0.5346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8779    0.2414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4097    0.8721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2218    0.7268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5021   -0.0491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3142   -0.1943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3162    0.6307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5945   -0.9702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0627   -1.6009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2506   -1.4557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9703   -0.6798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4385   -1.3105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1271   -0.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4111    0.7216    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6558   -0.6863    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4686   -0.5449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0658    0.3866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7855    1.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5339   -0.2441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7094   -0.2709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  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
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 12 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
 17 18  1  0  0  0  0
 14 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
 12 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
 10 24  1  0  0  0  0
 19 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 34 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
 29 39  1  0  0  0  0
 33 39  1  0  0  0  0
 39 40  1  0  0  0  0
 34 41  1  0  0  0  0
 41 42  2  0  0  0  0
 41 43  1  0  0  0  0
 43 44  1  0  0  0  0
 30 45  1  0  0  0  0
 45 46  1  0  0  0  0
 45 47  2  0  0  0  0
 27 47  1  0  0  0  0
 47 48  1  0  0  0  0
 25 48  2  0  0  0  0
M  END
> <DATABASE_ID>
NP0254433

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC(=O)C1(C)CCCC2(C)C3CC4=C(C=CO4)C(C)(C3CCC12)C1=CC2=C(C)C3=C(C=C2O1)C1(C)CCCC(C)(C1CC3)C(=O)OC

> <INCHI_IDENTIFIER>
InChI=1S/C42H54O6/c1-24-25-11-13-33-38(2,16-9-18-40(33,4)36(43)45-7)29(25)22-31-26(24)21-35(48-31)42(6)27-12-14-34-39(3,17-10-19-41(34,5)37(44)46-8)30(27)23-32-28(42)15-20-47-32/h15,20-22,27,30,33-34H,9-14,16-19,23H2,1-8H3

> <INCHI_KEY>
YTSRCEGDVADHHH-UHFFFAOYSA-N

> <FORMULA>
C42H54O6

> <MOLECULAR_WEIGHT>
654.888

> <EXACT_MASS>
654.392039459

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
102

> <JCHEM_AVERAGE_POLARIZABILITY>
77.07162745659622

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
methyl 14-[6-(methoxycarbonyl)-2,6,11-trimethyl-15-oxatetracyclo[8.7.0.0²,⁷.0¹²,¹⁶]heptadeca-12(16),13-dien-11-yl]-2,6,11-trimethyl-15-oxatetracyclo[8.7.0.0²,⁷.0¹²,¹⁶]heptadeca-1(10),11,13,16-tetraene-6-carboxylate

> <ALOGPS_LOGP>
8.32

> <JCHEM_LOGP>
9.543258357333334

> <ALOGPS_LOGS>
-5.70

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
8

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-2.532695320423575

> <JCHEM_POLAR_SURFACE_AREA>
78.88000000000001

> <JCHEM_REFRACTIVITY>
196.40140000000005

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.31e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
methyl 14-[6-(methoxycarbonyl)-2,6,11-trimethyl-15-oxatetracyclo[8.7.0.0²,⁷.0¹²,¹⁶]heptadeca-12(16),13-dien-11-yl]-2,6,11-trimethyl-15-oxatetracyclo[8.7.0.0²,⁷.0¹²,¹⁶]heptadeca-1(10),11,13,16-tetraene-6-carboxylate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 16-APR-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   16-APR-15         0                                  
HETATM    1  C   UNK     0      11.918  -9.313   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0      10.741  -8.320   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0       9.292  -8.843   0.000  0.00  0.00           C+0
HETATM    4  O   UNK     0       9.021 -10.359   0.000  0.00  0.00           O+0
HETATM    5  C   UNK     0       8.115  -7.850   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       9.297  -6.863   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       7.342  -9.182   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       5.802  -9.179   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       5.035  -7.843   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       5.808  -6.511   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       4.268  -6.507   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       5.041  -5.176   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       3.501  -5.172   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       2.735  -3.836   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0       1.229  -3.513   0.000  0.00  0.00           O+0
HETATM   16  C   UNK     0       1.072  -1.981   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       2.480  -1.358   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       3.508  -2.505   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       5.048  -2.508   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       4.784  -0.991   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       5.815  -3.844   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       7.355  -3.848   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       8.121  -5.183   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       7.348  -6.515   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       6.496  -1.985   0.000  0.00  0.00           C+0
HETATM   26  O   UNK     0       7.771  -2.849   0.000  0.00  0.00           O+0
HETATM   27  C   UNK     0       8.987  -1.904   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      10.503  -2.175   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      11.495  -0.998   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      10.972   0.451   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      11.965   1.628   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      13.481   1.357   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      14.004  -0.092   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      15.520  -0.363   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0      15.524   1.177   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0      16.043  -1.811   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0      15.050  -2.988   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0      13.534  -2.717   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0      13.011  -1.269   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0      12.019  -2.446   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0      17.037  -0.099   0.000  0.00  0.00           C+0
HETATM   42  O   UNK     0      17.567   1.347   0.000  0.00  0.00           O+0
HETATM   43  O   UNK     0      18.024  -1.281   0.000  0.00  0.00           O+0
HETATM   44  C   UNK     0      19.541  -1.017   0.000  0.00  0.00           C+0
HETATM   45  C   UNK     0       9.456   0.722   0.000  0.00  0.00           C+0
HETATM   46  C   UNK     0       8.933   2.170   0.000  0.00  0.00           C+0
HETATM   47  C   UNK     0       8.463  -0.456   0.000  0.00  0.00           C+0
HETATM   48  C   UNK     0       6.924  -0.506   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4    5                                                  
CONECT    4    3                                                            
CONECT    5    3    6    7   24                                             
CONECT    6    5                                                            
CONECT    7    5    8                                                       
CONECT    8    7    9                                                       
CONECT    9    8   10                                                       
CONECT   10    9   11   12   24                                             
CONECT   11   10                                                            
CONECT   12   10   13   21                                                  
CONECT   13   12   14                                                       
CONECT   14   13   15   18                                                  
CONECT   15   14   16                                                       
CONECT   16   15   17                                                       
CONECT   17   16   18                                                       
CONECT   18   17   14   19                                                  
CONECT   19   18   20   21   25                                             
CONECT   20   19                                                            
CONECT   21   19   12   22                                                  
CONECT   22   21   23                                                       
CONECT   23   22   24                                                       
CONECT   24   23    5   10                                                  
CONECT   25   19   26   48                                                  
CONECT   26   25   27                                                       
CONECT   27   26   28   47                                                  
CONECT   28   27   29                                                       
CONECT   29   28   30   39                                                  
CONECT   30   29   31   45                                                  
CONECT   31   30   32                                                       
CONECT   32   31   33                                                       
CONECT   33   32   34   39                                                  
CONECT   34   33   35   36   41                                             
CONECT   35   34                                                            
CONECT   36   34   37                                                       
CONECT   37   36   38                                                       
CONECT   38   37   39                                                       
CONECT   39   38   29   33   40                                             
CONECT   40   39                                                            
CONECT   41   34   42   43                                                  
CONECT   42   41                                                            
CONECT   43   41   44                                                       
CONECT   44   43                                                            
CONECT   45   30   46   47                                                  
CONECT   46   45                                                            
CONECT   47   45   27   48                                                  
CONECT   48   47   25                                                       
MASTER        0    0    0    0    0    0    0    0   48    0  110    0
END

View in JSmol

Synonyms

Value	Source
Methyl 14-[6-(methoxycarbonyl)-2,6,11-trimethyl-15-oxatetracyclo[8.7.0.0,.0,]heptadeca-12(16),13-dien-11-yl]-2,6,11-trimethyl-15-oxatetracyclo[8.7.0.0,.0,]heptadeca-1(17),10,12(16),13-tetraene-6-carboxylic acid	Generator
Methyl 14-[6-(methoxycarbonyl)-2,6,11-trimethyl-15-oxatetracyclo[8.7.0.0²,⁷.0¹²,¹⁶]heptadeca-12(16),13-dien-11-yl]-2,6,11-trimethyl-15-oxatetracyclo[8.7.0.0²,⁷.0¹²,¹⁶]heptadeca-1(17),10,12(16),13-tetraene-6-carboxylic acid	Generator

Chemical Formula

C₄₂H₅₄O₆

Average Mass

654.8880 Da

Monoisotopic Mass

654.39204 Da

IUPAC Name

methyl 14-[6-(methoxycarbonyl)-2,6,11-trimethyl-15-oxatetracyclo[8.7.0.0²,⁷.0¹²,¹⁶]heptadeca-12(16),13-dien-11-yl]-2,6,11-trimethyl-15-oxatetracyclo[8.7.0.0²,⁷.0¹²,¹⁶]heptadeca-1(10),11,13,16-tetraene-6-carboxylate

Traditional Name

CAS Registry Number

Not Available

SMILES

COC(=O)C1(C)CCCC2(C)C3CC4=C(C=CO4)C(C)(C3CCC12)C1=CC2=C(C)C3=C(C=C2O1)C1(C)CCCC(C)(C1CC3)C(=O)OC

InChI Identifier

InChI=1S/C42H54O6/c1-24-25-11-13-33-38(2,16-9-18-40(33,4)36(43)45-7)29(25)22-31-26(24)21-35(48-31)42(6)27-12-14-34-39(3,17-10-19-41(34,5)37(44)46-8)30(27)23-32-28(42)15-20-47-32/h15,20-22,27,30,33-34H,9-14,16-19,23H2,1-8H3

InChI Key

YTSRCEGDVADHHH-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 diterpenoids. These are terpene compounds formed by four isoprene units.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Diterpenoids

Direct Parent

Diterpenoids

Alternative Parents

Substituents

Diterpenoid
Phenanthrene
Naphthofuran
Tetralin
Benzofuran
Dicarboxylic acid or derivatives
Benzenoid
Methyl ester
Heteroaromatic compound
Furan
Carboxylic acid ester
Oxacycle
Carboxylic acid derivative
Organoheterocyclic compound
Organooxygen compound
Hydrocarbon derivative
Organic oxide
Carbonyl group
Organic oxygen 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	8.32	ALOGPS
logP	9.54	ChemAxon
logS	-5.7	ALOGPS
pKa (Strongest Basic)	-2.5	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	2	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	78.88 Å²	ChemAxon
Rotatable Bond Count	5	ChemAxon
Refractivity	196.4 m³·mol⁻¹	ChemAxon
Polarizability	77.07 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	No	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

75291476

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for methyl 9-[4-(methoxycarbonyl)-4,7,11b-trimethyl-1h,2h,3h,4ah,5h,6h,6ah,11h,11ah-phenanthro[3,2-b]furan-7-yl]-4,7,11b-trimethyl-1h,2h,3h,4ah,5h,6h-phenanthro[3,2-b]furan-4-carboxylate (NP0254433)

MOL for NP0254433 (methyl 9-[4-(methoxycarbonyl)-4,7,11b-trimethyl-1h,2h,3h,4ah,5h,6h,6ah,11h,11ah-phenanthro[3,2-b]furan-7-yl]-4,7,11b-trimethyl-1h,2h,3h,4ah,5h,6h-phenanthro[3,2-b]furan-4-carboxylate)

3D MOL for NP0254433 (methyl 9-[4-(methoxycarbonyl)-4,7,11b-trimethyl-1h,2h,3h,4ah,5h,6h,6ah,11h,11ah-phenanthro[3,2-b]furan-7-yl]-4,7,11b-trimethyl-1h,2h,3h,4ah,5h,6h-phenanthro[3,2-b]furan-4-carboxylate)

3D SDF for NP0254433 (methyl 9-[4-(methoxycarbonyl)-4,7,11b-trimethyl-1h,2h,3h,4ah,5h,6h,6ah,11h,11ah-phenanthro[3,2-b]furan-7-yl]-4,7,11b-trimethyl-1h,2h,3h,4ah,5h,6h-phenanthro[3,2-b]furan-4-carboxylate)

3D-SDF for NP0254433 (methyl 9-[4-(methoxycarbonyl)-4,7,11b-trimethyl-1h,2h,3h,4ah,5h,6h,6ah,11h,11ah-phenanthro[3,2-b]furan-7-yl]-4,7,11b-trimethyl-1h,2h,3h,4ah,5h,6h-phenanthro[3,2-b]furan-4-carboxylate)

PDB for NP0254433 (methyl 9-[4-(methoxycarbonyl)-4,7,11b-trimethyl-1h,2h,3h,4ah,5h,6h,6ah,11h,11ah-phenanthro[3,2-b]furan-7-yl]-4,7,11b-trimethyl-1h,2h,3h,4ah,5h,6h-phenanthro[3,2-b]furan-4-carboxylate)

3D PDB for NP0254433 (methyl 9-[4-(methoxycarbonyl)-4,7,11b-trimethyl-1h,2h,3h,4ah,5h,6h,6ah,11h,11ah-phenanthro[3,2-b]furan-7-yl]-4,7,11b-trimethyl-1h,2h,3h,4ah,5h,6h-phenanthro[3,2-b]furan-4-carboxylate)

SMILES for NP0254433 (methyl 9-[4-(methoxycarbonyl)-4,7,11b-trimethyl-1h,2h,3h,4ah,5h,6h,6ah,11h,11ah-phenanthro[3,2-b]furan-7-yl]-4,7,11b-trimethyl-1h,2h,3h,4ah,5h,6h-phenanthro[3,2-b]furan-4-carboxylate)

INCHI for NP0254433 (methyl 9-[4-(methoxycarbonyl)-4,7,11b-trimethyl-1h,2h,3h,4ah,5h,6h,6ah,11h,11ah-phenanthro[3,2-b]furan-7-yl]-4,7,11b-trimethyl-1h,2h,3h,4ah,5h,6h-phenanthro[3,2-b]furan-4-carboxylate)

Structure for NP0254433 (methyl 9-[4-(methoxycarbonyl)-4,7,11b-trimethyl-1h,2h,3h,4ah,5h,6h,6ah,11h,11ah-phenanthro[3,2-b]furan-7-yl]-4,7,11b-trimethyl-1h,2h,3h,4ah,5h,6h-phenanthro[3,2-b]furan-4-carboxylate)

3D Structure for NP0254433 (methyl 9-[4-(methoxycarbonyl)-4,7,11b-trimethyl-1h,2h,3h,4ah,5h,6h,6ah,11h,11ah-phenanthro[3,2-b]furan-7-yl]-4,7,11b-trimethyl-1h,2h,3h,4ah,5h,6h-phenanthro[3,2-b]furan-4-carboxylate)