NP-MRD: Showing NP-Card for Euphpronoid B (NP0351983)

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Record Information

Version

2.0

Created at

2025-12-10 07:50:35 UTC

Updated at

2025-12-17 01:43:23 UTC

NP-MRD ID

NP0351983

Natural Product DOI

https://doi.org/10.57994/5056

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Euphpronoid B

Description

Not Available

Structure

MOL SDF PDB SMILES InChI


  Mrv2104 01082305092D          

 50 53  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
   -0.6407   -0.6190    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4713   -0.9476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7972   -1.7410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2788   -0.6522    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
   -0.1081    2.5533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9218    2.9276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1036    3.4690    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
    1.2659   -0.8423    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.8106    2.0976    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.3547    2.8704    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  1  0  0  0  0  0  0  0  0  0
    1.5943    3.1215    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3606    4.1098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4098    5.0178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9614    5.7753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0892    5.5364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6003    4.5415    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
    2.8008    2.1310    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2864    2.9238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9949    3.7021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9142    3.5196    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
    2.8456    0.2444    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.2920   -0.5693    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9254   -1.2339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0766   -2.1078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7560   -2.6287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7833   -1.2388    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3884    0.8656    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.9958    0.2553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3234    1.1275    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2264    1.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7884    1.8623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9692    0.7572    0.0000 O   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
  6  8  2  0  0  0  0
  4  9  1  0  0  0  0
  9 10  2  0  0  0  0
 11 10  1  0  0  0  0
  2 11  1  0  0  0  0
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  3 15  1  0  0  0  0
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 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
  2 20  1  0  0  0  0
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 22 23  1  0  0  0  0
  3 23  1  1  0  0  0
 20 24  1  0  0  0  0
 24 25  1  1  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
 26 30  2  0  0  0  0
 24 31  1  0  0  0  0
 31 32  1  6  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 33 35  2  0  0  0  0
 36 31  1  0  0  0  0
 15 36  1  0  0  0  0
 36 37  1  1  0  0  0
 36 38  1  0  0  0  0
 38 39  1  6  0  0  0
 39 40  1  0  0  0  0
 40 41  1  0  0  0  0
 41 42  1  0  0  0  0
 40 43  2  0  0  0  0
 38 44  1  0  0  0  0
 44 45  1  6  0  0  0
 44 46  1  1  0  0  0
 46 47  1  0  0  0  0
 47 48  1  0  0  0  0
 47 49  2  0  0  0  0
 44 50  1  0  0  0  0
 31 50  1  0  0  0  0
M  END


  Mrv2104 01082305092D          

 50 53  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
   -0.6407   -0.6190    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4713   -0.9476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7972   -1.7410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2788   -0.6522    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
   -0.1081    2.5533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9218    2.9276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1036    3.4690    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
    1.2659   -0.8423    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0712   -1.7086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.4582   -2.2980    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
    0.3547    2.8704    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  1  0  0  0  0  0  0  0  0  0
    1.5943    3.1215    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3606    4.1098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4098    5.0178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9614    5.7753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0892    5.5364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6003    4.5415    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
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    3.2920   -0.5693    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9254   -1.2339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0766   -2.1078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.7833   -1.2388    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.2264    1.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7884    1.8623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9692    0.7572    0.0000 O   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
  6  8  2  0  0  0  0
  4  9  1  0  0  0  0
  9 10  2  0  0  0  0
 11 10  1  0  0  0  0
  2 11  1  0  0  0  0
 11 12  1  6  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
  3 15  1  0  0  0  0
 15 16  1  1  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
  2 20  1  0  0  0  0
 20 21  1  6  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
  3 23  1  1  0  0  0
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 15 36  1  0  0  0  0
 36 37  1  1  0  0  0
 36 38  1  0  0  0  0
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 39 40  1  0  0  0  0
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 44 46  1  1  0  0  0
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 47 48  1  0  0  0  0
 47 49  2  0  0  0  0
 44 50  1  0  0  0  0
 31 50  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0351983

> <DATABASE_NAME>
NP-MRD

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

> <INCHI_IDENTIFIER>
InChI=1S/C35H48O13/c1-12-25(40)45-28-26-29(44-20(7)37)34-16-42-33(11,27(34)23(17(2)3)13-14-24(34)43-19(6)36)31(46-30(41)18(4)5)35(26,48-22(9)39)15-32(28,10)47-21(8)38/h13-14,18,23-24,26-29,31H,2,12,15-16H2,1,3-11H3/t23-,24-,26-,27+,28-,29-,31-,32-,33-,34-,35-/m1/s1

> <INCHI_KEY>
XUHOPNWKJIJSQE-XUBZDCQSSA-N

> <FORMULA>
C35H48O13

> <MOLECULAR_WEIGHT>
676.756

> <EXACT_MASS>
676.309491606

$$$$

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      -1.196  -1.155   0.000  0.00  0.00           O+0
HETATM    6  C   UNK     0      -2.746  -1.769   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -3.355  -3.250   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0      -4.254  -1.217   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0      -1.216   1.444   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -0.710   2.899   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       0.803   3.188   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -0.202   4.766   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -1.721   5.465   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       0.193   6.475   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       2.714   0.075   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0       2.363  -1.572   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0       2.000  -3.189   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       2.802  -4.585   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0       0.855  -4.290   0.000  0.00  0.00           O+0
HETATM   20  C   UNK     0       1.513   3.916   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       0.662   5.358   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0       0.331   2.929   0.000  0.00  0.00           O+0
HETATM   23  C   UNK     0       0.193   1.395   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       3.047   3.777   0.000  0.00  0.00           C+0
HETATM   25  O   UNK     0       2.976   5.827   0.000  0.00  0.00           O+0
HETATM   26  C   UNK     0       2.540   7.672   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       2.632   9.367   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       1.795  10.781   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       3.900  10.335   0.000  0.00  0.00           C+0
HETATM   30  O   UNK     0       1.121   8.477   0.000  0.00  0.00           O+0
HETATM   31  C   UNK     0       4.034   2.595   0.000  0.00  0.00           C+0
HETATM   32  O   UNK     0       5.228   3.978   0.000  0.00  0.00           O+0
HETATM   33  C   UNK     0       6.135   5.458   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0       5.590   6.911   0.000  0.00  0.00           C+0
HETATM   35  O   UNK     0       7.307   6.570   0.000  0.00  0.00           O+0
HETATM   36  C   UNK     0       3.896   1.061   0.000  0.00  0.00           C+0
HETATM   37  H   UNK     0       4.120  -0.462   0.000  0.00  0.00           H+0
HETATM   38  C   UNK     0       5.312   0.456   0.000  0.00  0.00           C+0
HETATM   39  O   UNK     0       6.145  -1.063   0.000  0.00  0.00           O+0
HETATM   40  C   UNK     0       7.327  -2.303   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0       7.610  -3.935   0.000  0.00  0.00           C+0
HETATM   42  C   UNK     0       8.878  -4.907   0.000  0.00  0.00           C+0
HETATM   43  O   UNK     0       8.929  -2.313   0.000  0.00  0.00           O+0
HETATM   44  C   UNK     0       6.325   1.616   0.000  0.00  0.00           C+0
HETATM   45  C   UNK     0       7.459   0.477   0.000  0.00  0.00           C+0
HETATM   46  O   UNK     0       8.070   2.105   0.000  0.00  0.00           O+0
HETATM   47  C   UNK     0       9.756   2.226   0.000  0.00  0.00           C+0
HETATM   48  C   UNK     0      10.805   3.476   0.000  0.00  0.00           C+0
HETATM   49  O   UNK     0      11.143   1.414   0.000  0.00  0.00           O+0
HETATM   50  C   UNK     0       5.535   2.938   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3   11   20                                             
CONECT    3    2    4   15   23                                             
CONECT    4    3    5    9                                                  
CONECT    5    4    6                                                       
CONECT    6    5    7    8                                                  
CONECT    7    6                                                            
CONECT    8    6                                                            
CONECT    9    4   10                                                       
CONECT   10    9   11                                                       
CONECT   11   10    2   12                                                  
CONECT   12   11   13   14                                                  
CONECT   13   12                                                            
CONECT   14   12                                                            
CONECT   15    3   16   36                                                  
CONECT   16   15   17                                                       
CONECT   17   16   18   19                                                  
CONECT   18   17                                                            
CONECT   19   17                                                            
CONECT   20    2   21   22   24                                             
CONECT   21   20                                                            
CONECT   22   20   23                                                       
CONECT   23   22    3                                                       
CONECT   24   20   25   31                                                  
CONECT   25   24   26                                                       
CONECT   26   25   27   30                                                  
CONECT   27   26   28   29                                                  
CONECT   28   27                                                            
CONECT   29   27                                                            
CONECT   30   26                                                            
CONECT   31   24   32   36   50                                             
CONECT   32   31   33                                                       
CONECT   33   32   34   35                                                  
CONECT   34   33                                                            
CONECT   35   33                                                            
CONECT   36   31   15   37   38                                             
CONECT   37   36                                                            
CONECT   38   36   39   44                                                  
CONECT   39   38   40                                                       
CONECT   40   39   41   43                                                  
CONECT   41   40   42                                                       
CONECT   42   41                                                            
CONECT   43   40                                                            
CONECT   44   38   45   46   50                                             
CONECT   45   44                                                            
CONECT   46   44   47                                                       
CONECT   47   46   48   49                                                  
CONECT   48   47                                                            
CONECT   49   47                                                            
CONECT   50   44   31                                                       
MASTER        0    0    0    0    0    0    0    0   50    0  106    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₃₅H₄₈O₁₃

Average Mass

676.7560 Da

Monoisotopic Mass

676.30949 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

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

InChI Identifier

InChI=1S/C35H48O13/c1-12-25(40)45-28-26-29(44-20(7)37)34-16-42-33(11,27(34)23(17(2)3)13-14-24(34)43-19(6)36)31(46-30(41)18(4)5)35(26,48-22(9)39)15-32(28,10)47-21(8)38/h13-14,18,23-24,26-29,31H,2,12,15-16H2,1,3-11H3/t23-,24-,26-,27+,28-,29-,31-,32-,33-,34-,35-/m1/s1

InChI Key

XUHOPNWKJIJSQE-XUBZDCQSSA-N

Experimental Spectra

Spectrum Type	Description	Depositor Email	Depositor Organization	Depositor	Deposition Date	View
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
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
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
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_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
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
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

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 B (NP0351983)

MOL for NP0351983 (Euphpronoid B)

3D MOL for NP0351983 (Euphpronoid B)

3D SDF for NP0351983 (Euphpronoid B)

3D-SDF for NP0351983 (Euphpronoid B)

PDB for NP0351983 (Euphpronoid B)

3D PDB for NP0351983 (Euphpronoid B)

SMILES for NP0351983 (Euphpronoid B)

INCHI for NP0351983 (Euphpronoid B)

Structure for NP0351983 (Euphpronoid B)

3D Structure for NP0351983 (Euphpronoid B)