NP-MRD: Showing NP-Card for Euphpronoid M (NP0351994)

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Record Information

Version

2.0

Created at

2025-12-10 08:55:43 UTC

Updated at

2025-12-17 01:43:23 UTC

NP-MRD ID

NP0351994

Natural Product DOI

https://doi.org/10.57994/5067

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Euphpronoid M

Description

Not Available

Structure

MOL SDF PDB SMILES InChI


  Mrv2104 01082306142D          

 56 61  0  0  1  0            999 V2000
    2.7995    1.6525    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0099    1.4136    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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  2  1  1  6  0  0  0
  2  3  1  0  0  0  0
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  7 12  2  0  0  0  0
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  2 16  1  0  0  0  0
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  4 24  2  0  0  0  0
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 25 26  1  1  0  0  0
 26 27  1  0  0  0  0
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 27 29  2  0  0  0  0
  2 30  1  0  0  0  0
 30 31  1  6  0  0  0
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  3 33  1  1  0  0  0
 30 34  1  0  0  0  0
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 37 38  2  0  0  0  0
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 37 42  1  0  0  0  0
 36 43  2  0  0  0  0
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 54 56  1  0  0  0  0
 44 56  1  0  0  0  0
M  END


  Mrv2104 01082306142D          

 56 61  0  0  1  0            999 V2000
    2.7995    1.6525    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
> <DATABASE_ID>
NP0351994

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[H][C@@]12C[C@](C)(OC(C)=O)[C@]1([H])[C@@]1([H])[C@@]3(C)OC[C@@]1([C@H](OC(C)=O)[C@@]1([H])[C@@H](OC(=O)CC)[C@@H](C)C[C@]1(O)[C@H]3OC(=O)C1=CC=CC=C1)C(=O)[C@@H]2OC(=O)C(C)CC

> <INCHI_IDENTIFIER>
InChI=1S/C39H50O13/c1-9-19(3)33(44)50-29-24-17-36(7,52-22(6)41)26(24)30-37(8)35(51-34(45)23-14-12-11-13-15-23)39(46)16-20(4)28(49-25(42)10-2)27(39)32(48-21(5)40)38(30,18-47-37)31(29)43/h11-15,19-20,24,26-30,32,35,46H,9-10,16-18H2,1-8H3/t19?,20-,24+,26-,27+,28-,29+,30-,32+,35-,36-,37+,38-,39+/m0/s1

> <INCHI_KEY>
POPDSGFDLWOSDH-GOOZUUMHSA-N

> <FORMULA>
C39H50O13

> <MOLECULAR_WEIGHT>
726.816

> <EXACT_MASS>
726.32514167

$$$$

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       5.226   3.085   0.000  0.00  0.00           H+0
HETATM    2  C   UNK     0       3.752   2.639   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       3.827   1.100   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       2.533   0.266   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       1.163   0.970   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0      -0.227   0.020   0.000  0.00  0.00           O+0
HETATM    7  C   UNK     0      -1.804   0.220   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -3.329  -0.178   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -3.432  -1.714   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -4.604   0.678   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -5.987  -0.001   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0      -1.395   1.705   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0       1.088   2.508   0.000  0.00  0.00           C+0
HETATM   14  H   UNK     0      -0.379   2.037   0.000  0.00  0.00           H+0
HETATM   15  C   UNK     0       0.253   3.803   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       2.382   3.343   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       1.548   4.637   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       2.659   6.068   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0       0.259   5.782   0.000  0.00  0.00           O+0
HETATM   20  C   UNK     0      -1.302   6.158   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      -2.362   5.041   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0      -1.739   7.634   0.000  0.00  0.00           O+0
HETATM   23  H   UNK     0       2.697   1.835   0.000  0.00  0.00           H+0
HETATM   24  O   UNK     0       2.829  -1.414   0.000  0.00  0.00           O+0
HETATM   25  C   UNK     0       5.319   1.171   0.000  0.00  0.00           C+0
HETATM   26  O   UNK     0       5.661  -0.382   0.000  0.00  0.00           O+0
HETATM   27  C   UNK     0       5.728  -1.990   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       7.093  -2.703   0.000  0.00  0.00           C+0
HETATM   29  O   UNK     0       4.428  -2.815   0.000  0.00  0.00           O+0
HETATM   30  C   UNK     0       2.768   4.283   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       1.568   5.804   0.000  0.00  0.00           C+0
HETATM   32  O   UNK     0       2.042   2.926   0.000  0.00  0.00           O+0
HETATM   33  C   UNK     0       2.488   1.452   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0       4.242   4.729   0.000  0.00  0.00           C+0
HETATM   35  O   UNK     0       4.767   6.273   0.000  0.00  0.00           O+0
HETATM   36  C   UNK     0       6.447   6.821   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0       6.766   8.328   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0       5.620   9.357   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0       5.939  10.864   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0       7.403  11.341   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0       8.549  10.312   0.000  0.00  0.00           C+0
HETATM   42  C   UNK     0       8.230   8.805   0.000  0.00  0.00           C+0
HETATM   43  O   UNK     0       7.593   5.792   0.000  0.00  0.00           O+0
HETATM   44  C   UNK     0       5.600   4.003   0.000  0.00  0.00           C+0
HETATM   45  O   UNK     0       5.777   5.609   0.000  0.00  0.00           O+0
HETATM   46  C   UNK     0       6.046   2.529   0.000  0.00  0.00           C+0
HETATM   47  H   UNK     0       6.824   1.199   0.000  0.00  0.00           H+0
HETATM   48  C   UNK     0       7.586   2.497   0.000  0.00  0.00           C+0
HETATM   49  O   UNK     0       8.870   1.443   0.000  0.00  0.00           O+0
HETATM   50  C   UNK     0      10.498   1.481   0.000  0.00  0.00           C+0
HETATM   51  C   UNK     0      11.237   2.832   0.000  0.00  0.00           C+0
HETATM   52  C   UNK     0      12.776   2.868   0.000  0.00  0.00           C+0
HETATM   53  O   UNK     0      11.299   0.166   0.000  0.00  0.00           O+0
HETATM   54  C   UNK     0       8.091   3.952   0.000  0.00  0.00           C+0
HETATM   55  C   UNK     0       9.653   4.334   0.000  0.00  0.00           C+0
HETATM   56  C   UNK     0       6.864   4.882   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3   16   30                                             
CONECT    3    2    4   25   33                                             
CONECT    4    3    5   24                                                  
CONECT    5    4    6   13                                                  
CONECT    6    5    7                                                       
CONECT    7    6    8   12                                                  
CONECT    8    7    9   10                                                  
CONECT    9    8                                                            
CONECT   10    8   11                                                       
CONECT   11   10                                                            
CONECT   12    7                                                            
CONECT   13    5   14   15   16                                             
CONECT   14   13                                                            
CONECT   15   13   17                                                       
CONECT   16   13    2   17   23                                             
CONECT   17   16   15   18   19                                             
CONECT   18   17                                                            
CONECT   19   17   20                                                       
CONECT   20   19   21   22                                                  
CONECT   21   20                                                            
CONECT   22   20                                                            
CONECT   23   16                                                            
CONECT   24    4                                                            
CONECT   25    3   26   46                                                  
CONECT   26   25   27                                                       
CONECT   27   26   28   29                                                  
CONECT   28   27                                                            
CONECT   29   27                                                            
CONECT   30    2   31   32   34                                             
CONECT   31   30                                                            
CONECT   32   30   33                                                       
CONECT   33   32    3                                                       
CONECT   34   30   35   44                                                  
CONECT   35   34   36                                                       
CONECT   36   35   37   43                                                  
CONECT   37   36   38   42                                                  
CONECT   38   37   39                                                       
CONECT   39   38   40                                                       
CONECT   40   39   41                                                       
CONECT   41   40   42                                                       
CONECT   42   41   37                                                       
CONECT   43   36                                                            
CONECT   44   34   45   46   56                                             
CONECT   45   44                                                            
CONECT   46   44   25   47   48                                             
CONECT   47   46                                                            
CONECT   48   46   49   54                                                  
CONECT   49   48   50                                                       
CONECT   50   49   51   53                                                  
CONECT   51   50   52                                                       
CONECT   52   51                                                            
CONECT   53   50                                                            
CONECT   54   48   55   56                                                  
CONECT   55   54                                                            
CONECT   56   54   44                                                       
MASTER        0    0    0    0    0    0    0    0   56    0  122    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₃₉H₅₀O₁₃

Average Mass

726.8160 Da

Monoisotopic Mass

726.32514 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

[H][C@@]12C[C@](C)(OC(C)=O)[C@]1([H])[C@@]1([H])[C@@]3(C)OC[C@@]1([C@H](OC(C)=O)[C@@]1([H])[C@@H](OC(=O)CC)[C@@H](C)C[C@]1(O)[C@H]3OC(=O)C1=CC=CC=C1)C(=O)[C@@H]2OC(=O)C(C)CC

InChI Identifier

InChI=1S/C39H50O13/c1-9-19(3)33(44)50-29-24-17-36(7,52-22(6)41)26(24)30-37(8)35(51-34(45)23-14-12-11-13-15-23)39(46)16-20(4)28(49-25(42)10-2)27(39)32(48-21(5)40)38(30,18-47-37)31(29)43/h11-15,19-20,24,26-30,32,35,46H,9-10,16-18H2,1-8H3/t19?,20-,24+,26-,27+,28-,29+,30-,32+,35-,36-,37+,38-,39+/m0/s1

InChI Key

POPDSGFDLWOSDH-GOOZUUMHSA-N

Experimental Spectra

Spectrum Type	Description	Depositor Email	Depositor Organization	Depositor	Deposition Date	View
NOESY NMR	[¹H, ¹H] NMR Spectrum (2D, 500 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, 500 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, 500 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, 126 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, 500 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, 500 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, 126 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 M (NP0351994)

MOL for NP0351994 (Euphpronoid M)

3D MOL for NP0351994 (Euphpronoid M)

3D SDF for NP0351994 (Euphpronoid M)

3D-SDF for NP0351994 (Euphpronoid M)

PDB for NP0351994 (Euphpronoid M)

3D PDB for NP0351994 (Euphpronoid M)

SMILES for NP0351994 (Euphpronoid M)

INCHI for NP0351994 (Euphpronoid M)

Structure for NP0351994 (Euphpronoid M)

3D Structure for NP0351994 (Euphpronoid M)