NP-MRD: Showing NP-Card for Bistaxascendin G (NP0352046)

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Record Information

Version

2.0

Created at

2025-12-19 22:06:20 UTC

Updated at

2026-01-25 03:35:43 UTC

NP-MRD ID

NP0352046

Natural Product DOI

https://doi.org/10.57994/5121

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Bistaxascendin G

Description

Not Available

Structure

MOL SDF PDB SMILES InChI


  Mrv2104 01172319242D          

 46 51  0  0  1  0            999 V2000
    9.0158    0.2211    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6033    0.9355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7783    0.9355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3658    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7783    2.3645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6033    2.3645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0158    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8408    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2533    2.3645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2533    0.9355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3658    3.0789    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.7783    3.7934    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.5408    3.0789    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.1283    3.7934    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5408    4.5079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.3658    5.9368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5408    5.9368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1283    5.2224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3033    5.2224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8908    4.5079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8908    5.9368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7783    6.6513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6033    6.6513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0158    5.9368    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.4283    5.2224    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8408    5.9368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6975    6.7493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6160    6.2190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2533    5.2224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8408    4.5079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0158    4.5079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6033    5.2224    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.1908    4.5079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1283    2.3645    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.7158    1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3033    2.3645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4465    3.1769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5280    2.6466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8908    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3033    0.9355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1283    0.9355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5408    1.6500    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.9533    0.9355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
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  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 11  5  1  0  0  0  0
 11 12  1  1  0  0  0
 12 13  1  0  0  0  0
 14 11  1  0  0  0  0
 14 15  1  1  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 16 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 19 25  1  0  0  0  0
 25 26  1  0  0  0  0
 27 26  1  0  0  0  0
 27 28  1  6  0  0  0
 27 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  1  0  0  0  0
 29 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 35 34  1  0  0  0  0
 27 35  1  0  0  0  0
 35 18  1  0  0  0  0
 35 36  1  1  0  0  0
 14 37  1  0  0  0  0
 37 38  1  1  0  0  0
 37 39  1  0  0  0  0
 39 40  1  0  0  0  0
 39 41  1  0  0  0  0
 39 42  1  0  0  0  0
 42 43  1  0  0  0  0
 43 44  1  0  0  0  0
 45 44  1  0  0  0  0
 37 45  1  0  0  0  0
 45  4  1  0  0  0  0
 45 46  1  6  0  0  0
M  END


  Mrv2104 01172319242D          

 46 51  0  0  1  0            999 V2000
    9.0158    0.2211    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6033    0.9355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7783    0.9355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3658    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7783    2.3645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6033    2.3645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0158    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8408    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2533    2.3645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2533    0.9355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3658    3.0789    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.7783    3.7934    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6033    3.7934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5408    3.0789    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.1283    3.7934    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5408    4.5079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3658    4.5079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7783    5.2224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3658    5.9368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5408    5.9368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1283    5.2224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3033    5.2224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8908    4.5079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8908    5.9368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7783    6.6513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6033    6.6513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0158    5.9368    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.4283    5.2224    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8408    5.9368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6975    6.7493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6160    6.2190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2533    5.2224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8408    4.5079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0158    4.5079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6033    5.2224    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.1908    4.5079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1283    2.3645    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.7158    1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3033    2.3645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4465    3.1769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5280    2.6466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8908    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3033    0.9355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1283    0.9355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5408    1.6500    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.9533    0.9355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 11  5  1  0  0  0  0
 11 12  1  1  0  0  0
 12 13  1  0  0  0  0
 14 11  1  0  0  0  0
 14 15  1  1  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 16 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
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 25 26  1  0  0  0  0
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 27 28  1  6  0  0  0
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 29 32  1  0  0  0  0
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 33 34  1  0  0  0  0
 35 34  1  0  0  0  0
 27 35  1  0  0  0  0
 35 18  1  0  0  0  0
 35 36  1  1  0  0  0
 14 37  1  0  0  0  0
 37 38  1  1  0  0  0
 37 39  1  0  0  0  0
 39 40  1  0  0  0  0
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 45  4  1  0  0  0  0
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M  END
> <DATABASE_ID>
NP0352046

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[H][C@@]12CCC3=C(C=C(O[C@H]4[C@@H](OC)C5=C(C=C(O)C(=C5)C(C)C)[C@@]5(C)CCCC(C)(C)[C@]45[H])C(=C3)C(C)C)[C@@]1(C)CCCC2(C)C

> <INCHI_IDENTIFIER>
InChI=1S/C41H60O3/c1-24(2)27-21-29-31(22-32(27)42)41(10)19-13-17-39(7,8)37(41)36(35(29)43-11)44-33-23-30-26(20-28(33)25(3)4)14-15-34-38(5,6)16-12-18-40(30,34)9/h20-25,34-37,42H,12-19H2,1-11H3/t34-,35-,36-,37-,40+,41+/m0/s1

> <INCHI_KEY>
NFOYQESZTGLKTD-OKDLLEDBSA-N

> <FORMULA>
C41H60O3

> <MOLECULAR_WEIGHT>
600.928

> <EXACT_MASS>
600.454245792

$$$$

HEADER    PROTEIN                                 17-JAN-23   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   17-JAN-23         0                                  
HETATM    1  O   UNK     0      16.829   0.413   0.000  0.00  0.00           O+0
HETATM    2  C   UNK     0      16.059   1.746   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      14.519   1.746   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      13.749   3.080   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      14.519   4.414   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      16.059   4.414   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      16.829   3.080   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      18.369   3.080   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      19.139   4.414   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      19.139   1.746   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      13.749   5.747   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0      14.519   7.081   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0      16.059   7.081   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      12.209   5.747   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0      11.439   7.081   0.000  0.00  0.00           O+0
HETATM   16  C   UNK     0      12.209   8.415   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      13.749   8.415   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      14.519   9.748   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      13.749  11.082   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      12.209  11.082   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      11.439   9.748   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       9.899   9.748   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       9.129   8.415   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       9.129  11.082   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      14.519  12.416   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      16.059  12.416   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      16.829  11.082   0.000  0.00  0.00           C+0
HETATM   28  H   UNK     0      17.599   9.748   0.000  0.00  0.00           H+0
HETATM   29  C   UNK     0      18.369  11.082   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      18.102  12.599   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      19.817  11.609   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      19.139   9.748   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      18.369   8.415   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      16.829   8.415   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0      16.059   9.748   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0      15.289   8.415   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0      11.439   4.414   0.000  0.00  0.00           C+0
HETATM   38  H   UNK     0      10.669   3.080   0.000  0.00  0.00           H+0
HETATM   39  C   UNK     0       9.899   4.414   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0      10.167   5.930   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0       8.452   4.940   0.000  0.00  0.00           C+0
HETATM   42  C   UNK     0       9.129   3.080   0.000  0.00  0.00           C+0
HETATM   43  C   UNK     0       9.899   1.746   0.000  0.00  0.00           C+0
HETATM   44  C   UNK     0      11.439   1.746   0.000  0.00  0.00           C+0
HETATM   45  C   UNK     0      12.209   3.080   0.000  0.00  0.00           C+0
HETATM   46  C   UNK     0      12.979   1.746   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3    7                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5   45                                                  
CONECT    5    4    6   11                                                  
CONECT    6    5    7                                                       
CONECT    7    6    2    8                                                  
CONECT    8    7    9   10                                                  
CONECT    9    8                                                            
CONECT   10    8                                                            
CONECT   11    5   12   14                                                  
CONECT   12   11   13                                                       
CONECT   13   12                                                            
CONECT   14   11   15   37                                                  
CONECT   15   14   16                                                       
CONECT   16   15   17   21                                                  
CONECT   17   16   18                                                       
CONECT   18   17   19   35                                                  
CONECT   19   18   20   25                                                  
CONECT   20   19   21                                                       
CONECT   21   20   16   22                                                  
CONECT   22   21   23   24                                                  
CONECT   23   22                                                            
CONECT   24   22                                                            
CONECT   25   19   26                                                       
CONECT   26   25   27                                                       
CONECT   27   26   28   29   35                                             
CONECT   28   27                                                            
CONECT   29   27   30   31   32                                             
CONECT   30   29                                                            
CONECT   31   29                                                            
CONECT   32   29   33                                                       
CONECT   33   32   34                                                       
CONECT   34   33   35                                                       
CONECT   35   34   27   18   36                                             
CONECT   36   35                                                            
CONECT   37   14   38   39   45                                             
CONECT   38   37                                                            
CONECT   39   37   40   41   42                                             
CONECT   40   39                                                            
CONECT   41   39                                                            
CONECT   42   39   43                                                       
CONECT   43   42   44                                                       
CONECT   44   43   45                                                       
CONECT   45   44   37    4   46                                             
CONECT   46   45                                                            
MASTER        0    0    0    0    0    0    0    0   46    0  102    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₄₁H₆₀O₃

Average Mass

600.9280 Da

Monoisotopic Mass

600.45425 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

[H][C@@]12CCC3=C(C=C(O[C@H]4[C@@H](OC)C5=C(C=C(O)C(=C5)C(C)C)[C@@]5(C)CCCC(C)(C)[C@]45[H])C(=C3)C(C)C)[C@@]1(C)CCCC2(C)C

InChI Identifier

InChI=1S/C41H60O3/c1-24(2)27-21-29-31(22-32(27)42)41(10)19-13-17-39(7,8)37(41)36(35(29)43-11)44-33-23-30-26(20-28(33)25(3)4)14-15-34-38(5,6)16-12-18-40(30,34)9/h20-25,34-37,42H,12-19H2,1-11H3/t34-,35-,36-,37-,40+,41+/m0/s1

InChI Key

NFOYQESZTGLKTD-OKDLLEDBSA-N

Experimental Spectra

Spectrum Type	Description	Depositor Email	Depositor Organization	Depositor	Deposition Date	View
HMBC NMR	[¹H, ¹³C] NMR Spectrum (2D, 500 MHz, CD3OD, experimental)	[email protected]	Yunnan Minzu University	Wen-Chao Tu	2025-12-19	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 126 MHz, CD3OD, experimental)	[email protected]	Yunnan Minzu University	Wen-Chao Tu	2025-12-19	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, CD3OD, experimental)	[email protected]	Yunnan Minzu University	Wen-Chao Tu	2025-12-19	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 126 MHz, CD3OD, experimental)	[email protected]	Yunnan Minzu University	Wen-Chao Tu	2025-12-19	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 126 MHz, CD3OD, experimental)	[email protected]	Yunnan Minzu University	Wen-Chao Tu	2025-12-19	View Spectrum
HSQC NMR	[¹H, ¹³C] NMR Spectrum (2D, 500 MHz, CD3OD, experimental)	[email protected]	Yunnan Minzu University	Wen-Chao Tu	2025-12-19	View Spectrum
ROESY NMR	[¹H, ¹H] NMR Spectrum (2D, 500 MHz, CD3OD, experimental)	[email protected]	Yunnan Minzu University	Wen-Chao Tu	2025-12-19	View Spectrum
COSY NMR	[¹H, ¹H] NMR Spectrum (2D, 500 MHz, CD3OD, experimental)	[email protected]	Yunnan Minzu University	Wen-Chao Tu	2025-12-19	View Spectrum

Predicted Spectra

Not Available

Chemical Shift Submissions

Spectrum Type	Description	Depositor Email	Depositor Organization	Depositor	Deposition Date	View
1D NMR	¹³C NMR Spectrum (1D, 125.0, CD₃OD, simulated)	[email protected]	South China University of Technology	Wen-Chao Tu	2025-12-19	View Spectrum

Species

Species of Origin

Species Name	Source	Reference
Taxodium Taxodium ascendens		Not Available

Chemical Taxonomy

Classification

Not classified

Physical Properties

State

Not Available

Experimental Properties

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

Predicted Properties

Property	Value	Source

External Links

Not Available

References

General References

Showing NP-Card for Bistaxascendin G (NP0352046)

MOL for NP0352046 (Bistaxascendin G)

3D MOL for NP0352046 (Bistaxascendin G)

3D SDF for NP0352046 (Bistaxascendin G)

3D-SDF for NP0352046 (Bistaxascendin G)

PDB for NP0352046 (Bistaxascendin G)

3D PDB for NP0352046 (Bistaxascendin G)

SMILES for NP0352046 (Bistaxascendin G)

INCHI for NP0352046 (Bistaxascendin G)

Structure for NP0352046 (Bistaxascendin G)

3D Structure for NP0352046 (Bistaxascendin G)