NP-MRD: Showing NP-Card for Euphpronoid D (NP0351985)

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Record Information

Version

2.0

Created at

2025-12-10 08:02:04 UTC

Updated at

2025-12-17 01:43:23 UTC

NP-MRD ID

NP0351985

Natural Product DOI

https://doi.org/10.57994/5058

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Euphpronoid D

Description

Not Available

Structure

MOL SDF PDB SMILES InChI


  Mrv2104 01082305202D          

 48 52  0  0  1  0            999 V2000
    1.7909    1.0095    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9693    1.0834    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.6982    0.3042    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.1121    0.1494    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.4110   -0.7133    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2067   -1.0159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3384   -1.8303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6988   -2.3515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8305   -3.1660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6016   -3.4592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2411   -2.9380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1095   -2.1236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8462   -0.4947    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.4300    1.7078    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.1403    2.6307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5268    3.2357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9001    3.3232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4537    0.0399    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.3393   -0.8604    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1248   -1.7003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7149   -2.2768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3304   -1.9231    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8106    2.0976    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.5224    2.9663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.2723    2.8867    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3188    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6275    4.2003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0544    4.1234    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1610    1.3903    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.5889    2.1926    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3759    2.5930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4196    3.4168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0676    2.1432    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0870    0.5686    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.2069   -0.2476    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.1341   -0.7817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7515   -0.2345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2991   -1.5900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3884    0.8656    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.2331    0.7261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9653    1.5739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  6  0  0  0
  5  6  1  0  0  0  0
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  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
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  3 20  1  0  0  0  0
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  3 28  1  1  0  0  0
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 29 30  1  6  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 31 33  2  0  0  0  0
 29 34  1  0  0  0  0
 34 35  1  6  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 36 38  2  0  0  0  0
 39 34  1  0  0  0  0
 20 39  1  0  0  0  0
 39 40  1  1  0  0  0
 39 41  1  0  0  0  0
 41 42  1  6  0  0  0
 42 43  1  0  0  0  0
 43 44  1  0  0  0  0
 43 45  2  0  0  0  0
 41 46  1  0  0  0  0
 46 47  1  6  0  0  0
 46 48  1  0  0  0  0
 34 48  1  0  0  0  0
M  END


  Mrv2104 01082305202D          

 48 52  0  0  1  0            999 V2000
    1.7909    1.0095    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9693    1.0834    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.6982    0.3042    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.1121    0.1494    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.4110   -0.7133    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2067   -1.0159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3384   -1.8303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6988   -2.3515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8305   -3.1660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6016   -3.4592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2411   -2.9380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1095   -2.1236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8462   -0.4947    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6514    0.7737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3804    1.5529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4300    1.7078    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.1403    2.6307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5268    3.2357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9001    3.3232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4537    0.0399    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.3393   -0.8604    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1248   -1.7003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7149   -2.2768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3304   -1.9231    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8106    2.0976    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.5224    2.9663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1773    1.5689    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1033    0.7472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6323    2.0236    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.2723    2.8867    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3188    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6275    4.2003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0544    4.1234    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1610    1.3903    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.5889    2.1926    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3759    2.5930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4196    3.4168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0676    2.1432    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.1341   -0.7817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2991   -1.5900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3884    0.8656    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.2331    0.7261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9653    1.5739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  6  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
  7 12  1  0  0  0  0
  6 13  2  0  0  0  0
  4 14  1  0  0  0  0
 14 15  2  0  0  0  0
 16 15  1  0  0  0  0
  2 16  1  0  0  0  0
 16 17  1  6  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
  3 20  1  0  0  0  0
 20 21  1  1  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
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  2 25  1  0  0  0  0
 25 26  1  6  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
  3 28  1  1  0  0  0
 25 29  1  0  0  0  0
 29 30  1  6  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 31 33  2  0  0  0  0
 29 34  1  0  0  0  0
 34 35  1  6  0  0  0
 35 36  1  0  0  0  0
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 36 38  2  0  0  0  0
 39 34  1  0  0  0  0
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 39 41  1  0  0  0  0
 41 42  1  6  0  0  0
 42 43  1  0  0  0  0
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 43 45  2  0  0  0  0
 41 46  1  0  0  0  0
 46 47  1  6  0  0  0
 46 48  1  0  0  0  0
 34 48  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0351985

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[H][C@]12[C@@H](OC(C)=O)[C@@H](C)C[C@]1(OC(C)=O)[C@@H](OC(C)=O)[C@]1(C)OC[C@]3([C@H](OC(=O)C4=CC=CC=C4)C=C[C@H](C(C)=C)[C@@]13[H])[C@@H]2OC(C)=O

> <INCHI_IDENTIFIER>
InChI=1S/C35H42O11/c1-18(2)25-14-15-26(45-31(40)24-12-10-9-11-13-24)34-17-41-33(8,29(25)34)32(44-22(6)38)35(46-23(7)39)16-19(3)28(42-20(4)36)27(35)30(34)43-21(5)37/h9-15,19,25-30,32H,1,16-17H2,2-8H3/t19-,25+,26+,27+,28-,29-,30+,32-,33+,34+,35+/m0/s1

> <INCHI_KEY>
CSGPIJGEOBCYQT-YDTUVCMLSA-N

> <FORMULA>
C35H42O11

> <MOLECULAR_WEIGHT>
638.71

> <EXACT_MASS>
638.272712172

$$$$

HEADER    PROTEIN                                 08-JAN-23   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   08-JAN-23         0                                  
HETATM    1  H   UNK     0       3.343   1.884   0.000  0.00  0.00           H+0
HETATM    2  C   UNK     0       1.809   2.022   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       1.303   0.568   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -0.209   0.279   0.000  0.00  0.00           C+0
HETATM    5  O   UNK     0      -0.767  -1.332   0.000  0.00  0.00           O+0
HETATM    6  C   UNK     0      -2.253  -1.896   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -2.498  -3.417   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -1.305  -4.390   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -1.550  -5.910   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -2.990  -6.457   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -4.183  -5.484   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -3.938  -3.964   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0      -3.446  -0.923   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0      -1.216   1.444   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      -0.710   2.899   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       0.803   3.188   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       0.262   4.911   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      -0.983   6.040   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       1.680   6.203   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       2.714   0.075   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0       2.500  -1.606   0.000  0.00  0.00           O+0
HETATM   22  C   UNK     0       2.100  -3.174   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       3.201  -4.250   0.000  0.00  0.00           C+0
HETATM   24  O   UNK     0       0.617  -3.590   0.000  0.00  0.00           O+0
HETATM   25  C   UNK     0       1.513   3.916   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       0.975   5.537   0.000  0.00  0.00           C+0
HETATM   27  O   UNK     0       0.331   2.929   0.000  0.00  0.00           O+0
HETATM   28  C   UNK     0       0.193   1.395   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       3.047   3.777   0.000  0.00  0.00           C+0
HETATM   30  O   UNK     0       4.242   5.388   0.000  0.00  0.00           O+0
HETATM   31  C   UNK     0       4.328   7.000   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0       3.038   7.841   0.000  0.00  0.00           C+0
HETATM   33  O   UNK     0       5.702   7.697   0.000  0.00  0.00           O+0
HETATM   34  C   UNK     0       4.034   2.595   0.000  0.00  0.00           C+0
HETATM   35  O   UNK     0       4.833   4.093   0.000  0.00  0.00           O+0
HETATM   36  C   UNK     0       6.302   4.840   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0       6.383   6.378   0.000  0.00  0.00           C+0
HETATM   38  O   UNK     0       7.593   4.001   0.000  0.00  0.00           O+0
HETATM   39  C   UNK     0       3.896   1.061   0.000  0.00  0.00           C+0
HETATM   40  H   UNK     0       4.120  -0.462   0.000  0.00  0.00           H+0
HETATM   41  C   UNK     0       5.312   0.456   0.000  0.00  0.00           C+0
HETATM   42  O   UNK     0       6.168  -0.942   0.000  0.00  0.00           O+0
HETATM   43  C   UNK     0       7.717  -1.459   0.000  0.00  0.00           C+0
HETATM   44  C   UNK     0       8.870  -0.438   0.000  0.00  0.00           C+0
HETATM   45  O   UNK     0       8.025  -2.968   0.000  0.00  0.00           O+0
HETATM   46  C   UNK     0       6.325   1.616   0.000  0.00  0.00           C+0
HETATM   47  C   UNK     0       7.902   1.355   0.000  0.00  0.00           C+0
HETATM   48  C   UNK     0       5.535   2.938   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3   16   25                                             
CONECT    3    2    4   20   28                                             
CONECT    4    3    5   14                                                  
CONECT    5    4    6                                                       
CONECT    6    5    7   13                                                  
CONECT    7    6    8   12                                                  
CONECT    8    7    9                                                       
CONECT    9    8   10                                                       
CONECT   10    9   11                                                       
CONECT   11   10   12                                                       
CONECT   12   11    7                                                       
CONECT   13    6                                                            
CONECT   14    4   15                                                       
CONECT   15   14   16                                                       
CONECT   16   15    2   17                                                  
CONECT   17   16   18   19                                                  
CONECT   18   17                                                            
CONECT   19   17                                                            
CONECT   20    3   21   39                                                  
CONECT   21   20   22                                                       
CONECT   22   21   23   24                                                  
CONECT   23   22                                                            
CONECT   24   22                                                            
CONECT   25    2   26   27   29                                             
CONECT   26   25                                                            
CONECT   27   25   28                                                       
CONECT   28   27    3                                                       
CONECT   29   25   30   34                                                  
CONECT   30   29   31                                                       
CONECT   31   30   32   33                                                  
CONECT   32   31                                                            
CONECT   33   31                                                            
CONECT   34   29   35   39   48                                             
CONECT   35   34   36                                                       
CONECT   36   35   37   38                                                  
CONECT   37   36                                                            
CONECT   38   36                                                            
CONECT   39   34   20   40   41                                             
CONECT   40   39                                                            
CONECT   41   39   42   46                                                  
CONECT   42   41   43                                                       
CONECT   43   42   44   45                                                  
CONECT   44   43                                                            
CONECT   45   43                                                            
CONECT   46   41   47   48                                                  
CONECT   47   46                                                            
CONECT   48   46   34                                                       
MASTER        0    0    0    0    0    0    0    0   48    0  104    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₃₅H₄₂O₁₁

Average Mass

638.7100 Da

Monoisotopic Mass

638.27271 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

[H][C@]12[C@@H](OC(C)=O)[C@@H](C)C[C@]1(OC(C)=O)[C@@H](OC(C)=O)[C@]1(C)OC[C@]3([C@H](OC(=O)C4=CC=CC=C4)C=C[C@H](C(C)=C)[C@@]13[H])[C@@H]2OC(C)=O

InChI Identifier

InChI=1S/C35H42O11/c1-18(2)25-14-15-26(45-31(40)24-12-10-9-11-13-24)34-17-41-33(8,29(25)34)32(44-22(6)38)35(46-23(7)39)16-19(3)28(42-20(4)36)27(35)30(34)43-21(5)37/h9-15,19,25-30,32H,1,16-17H2,2-8H3/t19-,25+,26+,27+,28-,29-,30+,32-,33+,34+,35+/m0/s1

InChI Key

CSGPIJGEOBCYQT-YDTUVCMLSA-N

Experimental Spectra

Spectrum Type	Description	Depositor Email	Depositor Organization	Depositor	Deposition Date	View
NOESY NMR	[¹H, ¹H] NMR Spectrum (2D, 400 MHz, CDCl3, experimental)	wushq23@mail2.sysu.edu.cn	Sun Yat-Sen University	Shu-Qi Wu	2025-12-10	View Spectrum
HSQC NMR	[¹H, ¹³C] NMR Spectrum (2D, 400 MHz, CDCl3, experimental)	wushq23@mail2.sysu.edu.cn	Sun Yat-Sen University	Shu-Qi Wu	2025-12-10	View Spectrum
HMBC NMR	[¹H, ¹³C] NMR Spectrum (2D, 400 MHz, CDCl3, experimental)	wushq23@mail2.sysu.edu.cn	Sun Yat-Sen University	Shu-Qi Wu	2025-12-10	View Spectrum
1D_DEPT NMR	¹³C NMR Spectrum (1D, 101 MHz, CDCl3, experimental)	wushq23@mail2.sysu.edu.cn	Sun Yat-Sen University	Shu-Qi Wu	2025-12-10	View Spectrum
COSY NMR	[¹H, ¹H] NMR Spectrum (2D, 400 MHz, CDCl3, experimental)	wushq23@mail2.sysu.edu.cn	Sun Yat-Sen University	Shu-Qi Wu	2025-12-10	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 101 MHz, CDCl3, experimental)	wushq23@mail2.sysu.edu.cn	Sun Yat-Sen University	Shu-Qi Wu	2025-12-10	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, CDCl3, experimental)	wushq23@mail2.sysu.edu.cn	Sun Yat-Sen University	Shu-Qi Wu	2025-12-10	View Spectrum

Predicted Spectra

Not Available

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Euphorbia Euphorbia prolifera		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 Euphpronoid D (NP0351985)

MOL for NP0351985 (Euphpronoid D)

3D MOL for NP0351985 (Euphpronoid D)

3D SDF for NP0351985 (Euphpronoid D)

3D-SDF for NP0351985 (Euphpronoid D)

PDB for NP0351985 (Euphpronoid D)

3D PDB for NP0351985 (Euphpronoid D)

SMILES for NP0351985 (Euphpronoid D)

INCHI for NP0351985 (Euphpronoid D)

Structure for NP0351985 (Euphpronoid D)

3D Structure for NP0351985 (Euphpronoid D)